data_2l53_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 2l53 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.74 160.33 33.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.821 1.648 . . . . 0.0 112.017 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.27 -35.95 76.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.587 0.755 . . . . 0.0 112.606 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.16 -24.97 63.25 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -80.11 -46.19 16.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.486 0.714 . . . . 0.0 109.901 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.14 -39.3 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.302 1.041 . . . . 0.0 111.658 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.137 0.975 . . . . 0.0 113.382 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -85.68 -41.61 15.01 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.892 0.877 . . . . 0.0 111.704 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.06 -28.51 68.89 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.04 -40.28 94.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.662 0.785 . . . . 0.0 111.357 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.02 57.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.136 0.574 . . . . 0.0 112.257 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.56 -38.23 86.72 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.443 0.697 . . . . 0.0 112.424 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -69.7 -14.96 63.06 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -30.7 46.34 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.367 0.985 . . . . 0.0 111.64 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -88.53 -10.07 50.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.429 1.492 . . . . 0.0 113.206 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.81 62.61 0.84 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.245 1.818 . . . . 0.0 111.028 170.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -67.37 -21.55 65.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.305 1.842 . . . . 0.0 113.963 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.62 -20.92 28.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.951 1.7 . . . . 0.0 112.738 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 7.53 86.27 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.025 1.297 . . . . 0.0 113.942 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -89.89 -9.46 48.9 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.746 1.618 . . . . 0.0 113.711 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 21.19 25.99 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.847 1.213 . . . . 0.0 113.635 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -128.56 154.84 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.852 1.661 . . . . 0.0 112.016 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.2 pt -117.45 164.58 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.801 1.241 . . . . 0.0 110.411 162.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -81.3 162.82 23.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 0.0 111.413 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.5 p -62.8 -27.71 69.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.252 1.021 . . . . 0.0 112.496 173.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -77.44 -28.52 52.52 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -19.87 56.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.79 -49.02 74.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.479 1.112 . . . . 0.0 111.55 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.45 -16.27 69.24 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.386 -0.675 . . . . 0.0 113.756 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -82.06 -55.99 4.22 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.056 0.942 . . . . 0.0 110.024 170.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.31 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mtp -66.72 -34.01 76.9 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.351 0.978 . . . . 0.0 112.762 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -81.25 -34.17 32.3 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.913 0.885 . . . . 0.0 112.466 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.3 m -66.72 -21.51 66.08 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.813 -1.179 . . . . 0.0 113.619 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 mt -77.84 1.52 20.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.022 1.329 . . . . 0.0 113.706 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.31 59.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.873 1.225 . . . . 0.0 115.267 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -86.16 173.91 9.49 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.453 1.127 . . . . 0.0 110.715 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -150.08 64.25 6.72 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.8 . . . . 0.0 112.973 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -67.33 158.39 57.22 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.32 2.68 . . . . 0.0 111.321 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -74.87 164.62 26.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.017 0.927 . . . . 0.0 111.469 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -55.77 -37.76 68.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 111.582 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.94 70.43 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.385 1.074 . . . . 0.0 112.482 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.05 -40.81 91.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.802 0.728 . . . . 0.0 111.666 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.23 -48.73 80.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.161 0.584 . . . . 0.0 111.102 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -64.23 -36.45 84.11 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.583 0.628 . . . . 0.0 112.221 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.83 -34.6 78.53 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.044 . . . . 0.0 113.23 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.9 mtm -74.06 -28.83 61.59 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.499 -0.751 . . . . 0.0 111.482 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.16 -46.49 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.867 0.758 . . . . 0.0 110.146 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -56.63 -28.58 60.83 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.464 1.029 . . . . 0.0 113.303 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.05 -13.81 60.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 114.01 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -125.82 -27.21 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -87.25 19.25 3.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.218 1.807 . . . . 0.0 112.39 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.03 64.67 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.787 1.235 . . . . 0.0 113.488 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.73 -16.83 56.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.072 1.349 . . . . 0.0 113.543 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 10.33 85.42 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.244 1.402 . . . . 0.0 115.211 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -77.02 -15.94 59.46 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.33 9.97 86.52 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.701 1.143 . . . . 0.0 114.444 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -136.41 159.23 42.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 112.284 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.54 122.07 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 126.1 1.76 . . . . 0.0 108.485 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.68 153.28 35.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.254 1.021 . . . . 0.0 111.336 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -47.4 -49.84 51.98 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 116.863 -1.541 . . . . 0.0 115.041 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.58 -26.83 69.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.597 2.198 . . . . 0.0 114.197 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -74.11 -38.87 63.71 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.008 1.276 . . . . 0.0 111.422 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.16 -40.94 99.01 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.304 1.042 . . . . 0.0 111.395 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.44 -25.3 66.67 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.218 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -60.81 -39.25 88.27 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 120.411 1.459 . . . . 0.0 111.445 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.21 -41.97 98.87 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.844 0.458 . . . . 0.0 111.156 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.42 -38.31 74.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 112.19 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 124.586 1.155 . . . . 0.0 111.988 175.163 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 -20.17 64.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.169 0.987 . . . . 0.0 112.963 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -87.71 -46.12 9.76 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.591 1.156 . . . . 0.0 110.742 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.92 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.649 0.78 . . . . 0.0 111.339 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.5 -38.23 83.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.776 0.831 . . . . 0.0 112.62 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.79 -33.86 75.64 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.471 0.708 . . . . 0.0 112.141 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.21 86.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.539 0.609 . . . . 0.0 110.764 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -64.54 -39.29 93.5 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.25 -36.31 83.24 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.584 0.629 . . . . 0.0 112.06 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.76 -37.76 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.391 1.076 . . . . 0.0 111.919 171.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -82.77 -23.12 34.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -78.49 73.21 5.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.559 1.143 . . . . 0.0 110.834 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.24 -18.68 65.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.072 1.349 . . . . 0.0 114.346 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -89.76 -20.03 24.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.901 1.28 . . . . 0.0 112.977 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.87 20.13 74.07 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.221 1.391 . . . . 0.0 114.363 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -78.01 -19.0 55.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.2 83.6 Favored Glycine 0 N--CA 1.477 1.415 0 C-N-CA 124.966 1.269 . . . . 0.0 113.971 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.93 151.53 42.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.439 1.895 . . . . 0.0 109.65 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.89 170.06 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.127 0.971 . . . . 0.0 110.253 170.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.9 p -85.08 158.21 20.49 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.9 -1.125 . . . . 0.0 112.724 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.22 74.9 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.489 -0.757 . . . . 0.0 111.66 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.92 97.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.553 0.741 . . . . 0.0 112.136 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.52 -48.2 78.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.606 0.762 . . . . 0.0 111.018 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.56 -43.47 98.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.973 0.806 . . . . 0.0 111.982 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -59.46 -47.52 85.18 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.677 0.671 . . . . 0.0 110.796 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -64.68 -49.06 72.43 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.107 0.867 . . . . 0.0 112.186 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -16.36 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.75 -35.6 12.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.075 1.35 . . . . 0.0 113.563 171.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.3 p -87.46 -25.6 23.66 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.612 1.096 . . . . 0.0 113.715 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -96.64 -52.99 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.118 0.967 . . . . 0.0 112.287 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.12 159.6 15.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.021 1.328 . . . . 0.0 112.811 -171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.23 -145.04 35.51 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.363 0.983 . . . . 0.0 111.276 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.92 146.38 35.59 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 152.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -75.27 109.81 9.09 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.579 -1.326 . . . . 0.0 110.661 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 144.5 55.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.45 1.1 . . . . 0.0 111.113 -175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 146.63 50.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.589 1.156 . . . . 0.0 110.795 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.81 -32.61 72.92 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.8 -23.25 59.66 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.06 -45.95 14.55 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.664 1.186 . . . . 0.0 109.547 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.17 -51.5 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.434 1.094 . . . . 0.0 111.324 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.15 -26.81 68.34 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.43 0.692 . . . . 0.0 112.699 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.21 -42.18 46.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.625 0.77 . . . . 0.0 111.587 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.68 -39.43 91.4 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.621 0.769 . . . . 0.0 111.737 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.07 -56.92 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 110.001 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -49.38 -53.54 21.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.711 1.204 . . . . 0.0 113.263 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.67 -20.96 61.15 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -172.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.7 -39.8 10.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.064 0.946 . . . . 0.0 112.816 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 126.344 1.858 . . . . 0.0 112.891 -178.833 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.264 0 CA-C-O 119.866 -0.408 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.11 164.24 12.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.711 1.604 . . . . 0.0 109.982 167.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.25 111.98 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.714 1.605 . . . . 0.0 107.971 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.98 70.35 9.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.171 1.389 . . . . 0.0 110.811 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.77 -31.17 71.35 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.33 -34.84 74.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.002 1.321 . . . . 0.0 113.36 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.02 -28.66 16.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 0.0 112.091 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -33.3 72.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.59 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.04 -44.06 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.666 1.186 . . . . 0.0 111.713 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.96 -44.6 54.3 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.384 0.538 . . . . 0.0 110.583 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.88 -22.83 65.89 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -77.94 -23.26 48.62 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -168.287 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 26.4 mp0 . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.44 -44.34 71.49 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.527 -0.733 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.1 m -69.5 -33.68 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.254 0.934 . . . . 0.0 112.099 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.4 m -62.15 -44.3 96.92 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.684 0.675 . . . . 0.0 111.764 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.67 87.94 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.58 -0.7 . . . . 0.0 111.762 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.12 -31.24 72.35 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.1 t -64.18 -45.81 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.823 1.192 . . . . 0.0 111.283 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.38 -43.67 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.259 0.624 . . . . 0.0 111.124 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.053 0.941 . . . . 0.0 112.079 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -68.32 -42.76 78.91 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.443 -0.785 . . . . 0.0 111.806 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.84 98.17 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.091 0.956 . . . . 0.0 111.919 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.63 -38.67 84.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.26 -28.68 68.23 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.22 -0.925 . . . . 0.0 112.726 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -70.54 -41.84 71.97 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.396 0.998 . . . . 0.0 111.95 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 74.4 t60 -57.94 -45.64 86.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.964 0.906 . . . . 0.0 112.103 171.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 125.912 1.685 . . . . 0.0 112.441 172.595 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 p -103.83 161.79 13.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 110.806 165.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.15 -31.84 70.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.709 0.804 . . . . 0.0 113.096 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.5 -21.47 60.4 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -80.44 -43.75 20.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.336 0.971 . . . . 0.0 110.662 168.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -56.2 -37.7 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.211 1.004 . . . . 0.0 111.879 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -25.03 67.91 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.458 1.103 . . . . 0.0 113.46 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.83 -43.46 11.82 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.168 0.987 . . . . 0.0 111.54 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.68 -28.3 69.81 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.73 0.696 . . . . 0.0 112.705 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.89 -36.36 70.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.683 0.793 . . . . 0.0 112.675 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.69 -44.66 81.17 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.679 0.792 . . . . 0.0 111.847 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.81 80.45 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.817 0.447 . . . . 0.0 112.196 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.21 -39.13 82.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.148 0.979 . . . . 0.0 112.494 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -28.99 70.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.16 -22.81 62.94 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.859 -1.151 . . . . 0.0 112.817 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -92.79 -12.99 29.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.363 1.465 . . . . 0.0 113.066 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -81.25 74.51 8.25 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.292 1.437 . . . . 0.0 110.777 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.56 -19.02 65.22 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.12 -16.47 19.53 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.665 1.186 . . . . 0.0 113.287 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 23.83 65.59 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.894 1.235 . . . . 0.0 113.809 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.02 -7.0 40.98 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.335 1.454 . . . . 0.0 114.018 -171.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 9.35 70.24 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.245 1.402 . . . . 0.0 114.062 -175.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -122.08 159.53 26.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.161 1.784 . . . . 0.0 112.068 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -119.79 159.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.532 1.133 . . . . 0.0 110.143 163.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -73.49 148.56 43.03 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -58.8 -32.9 69.77 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.047 0.939 . . . . 0.0 113.051 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -67.97 -19.65 64.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -86.73 -8.91 56.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.303 1.041 . . . . 0.0 113.172 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.64 -49.19 78.52 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.929 0.786 . . . . 0.0 111.13 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.05 73.16 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 123.093 0.377 . . . . 0.0 112.627 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -72.06 -48.92 40.79 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.74 -33.33 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.804 1.184 . . . . 0.0 112.48 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.86 -47.44 82.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.233 0.924 . . . . 0.0 111.475 170.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -72.87 -29.18 62.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.24 1.016 . . . . 0.0 112.991 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.5 m -68.63 -27.81 66.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.951 0.9 . . . . 0.0 112.664 171.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.0 4.31 34.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.423 1.489 . . . . 0.0 112.672 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.85 10.31 65.0 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.491 1.519 . . . . 0.0 115.443 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -88.13 162.83 16.52 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.719 1.26 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -147.56 50.06 0.86 Allowed Pre-proline 0 CA--C 1.556 1.186 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -69.54 164.83 32.86 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.627 2.885 . . . . 0.0 111.782 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -76.17 154.62 35.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.231 0.612 . . . . 0.0 109.823 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.92 -32.28 71.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 0.0 112.328 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.89 79.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.207 1.003 . . . . 0.0 112.801 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.08 -41.15 67.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.657 0.783 . . . . 0.0 110.684 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.33 -50.12 74.22 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.748 0.819 . . . . 0.0 110.791 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -60.24 -39.65 87.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.772 0.829 . . . . 0.0 112.49 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.24 -34.45 78.14 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -78.17 -38.99 42.26 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.504 -0.748 . . . . 0.0 111.309 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.74 -48.69 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.187 0.995 . . . . 0.0 109.882 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -61.73 -28.15 69.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.098 0.959 . . . . 0.0 113.186 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.36 -46.94 30.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.829 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.02 -24.9 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.94 38.49 0.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.785 1.234 . . . . 0.0 112.466 174.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.14 -24.46 67.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.307 1.443 . . . . 0.0 113.935 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.19 -16.32 60.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.907 1.283 . . . . 0.0 113.219 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.72 80.46 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.9 1.238 . . . . 0.0 113.728 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.58 -26.56 60.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 113.869 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.28 74.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.07 1.319 . . . . 0.0 113.17 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.1 p -137.27 161.18 36.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.925 1.69 . . . . 0.0 111.75 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.56 125.28 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.093 1.757 . . . . 0.0 108.557 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.22 153.78 22.4 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.459 1.104 . . . . 0.0 111.354 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -53.03 -48.75 90.71 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 -28.41 60.45 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.19 1.926 . . . . 0.0 113.695 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -74.26 -36.58 63.84 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.133 0.879 . . . . 0.0 111.488 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.8 -42.83 99.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.143 0.977 . . . . 0.0 112.127 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -26.89 68.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -67.51 -31.88 72.31 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.017 1.281 . . . . 0.0 112.628 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -70.79 -27.5 63.95 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.65 0.78 . . . . 0.0 112.868 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.8 mmm -81.89 -46.11 14.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.695 1.198 . . . . 0.0 112.137 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.707 0 C-N-CA 125.829 1.652 . . . . 0.0 113.576 -172.104 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.52 -40.01 88.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.716 0.806 . . . . 0.0 112.345 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.29 -36.0 58.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.538 0.735 . . . . 0.0 110.472 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.84 -44.97 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.015 0.926 . . . . 0.0 110.141 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -58.87 -44.22 91.03 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.551 -0.718 . . . . 0.0 112.048 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.62 -28.83 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.509 1.05 . . . . 0.0 112.958 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.31 82.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 110.449 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -63.72 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 171.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.54 -39.21 93.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.132 0.878 . . . . 0.0 111.886 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.62 -38.39 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.869 0.868 . . . . 0.0 112.393 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -81.35 -17.68 48.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.29 116.95 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.871 1.214 . . . . 0.0 110.057 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.73 -8.98 59.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.245 . . . . 0.0 114.227 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -129.16 -19.91 3.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.184 1.394 . . . . 0.0 114.014 -173.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.98 22.26 61.57 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.44 1.019 . . . . 0.0 113.034 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.7 -22.83 60.83 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.5 1.52 . . . . 0.0 114.377 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.65 74.34 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 125.172 1.367 . . . . 0.0 113.65 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -136.74 151.65 49.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.984 2.114 . . . . 0.0 110.804 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.48 159.07 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.903 1.281 . . . . 0.0 109.859 172.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 p -79.53 148.8 31.66 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.017 -1.052 . . . . 0.0 111.961 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.8 72.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.833 0.853 . . . . 0.0 112.108 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.56 85.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.251 1.02 . . . . 0.0 112.227 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.45 -47.4 76.29 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.998 0.519 . . . . 0.0 111.177 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.21 -47.66 84.49 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.84 0.745 . . . . 0.0 111.41 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.3 ttp-105 -56.33 -46.8 79.74 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 111.478 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.58 -45.22 91.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.476 0.71 . . . . 0.0 112.73 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.03 -53.93 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.173 0.589 . . . . 0.0 109.952 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.6 mmt -71.94 -20.72 61.71 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -167.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 p -88.18 -9.72 52.18 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 117.457 -1.258 . . . . 0.0 114.318 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.87 -24.04 2.45 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.96 154.84 19.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.891 1.276 . . . . 0.0 111.77 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.24 -136.39 34.74 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.348 0.975 . . . . 0.0 113.279 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -92.48 87.87 6.15 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.76 1.624 . . . . 0.0 108.47 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -53.73 138.92 34.16 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.596 1.158 . . . . 0.0 113.743 -165.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 mp -90.11 146.88 23.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.42 1.488 . . . . 0.0 112.292 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 m -71.94 159.9 33.46 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.954 1.701 . . . . 0.0 110.242 170.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.19 -42.71 66.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.939 1.296 . . . . 0.0 112.289 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.99 -28.33 66.51 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.66 -48.68 30.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.005 0.82 . . . . 0.0 109.879 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.02 -33.99 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.973 0.806 . . . . 0.0 112.634 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.96 -40.95 97.31 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.51 1.05 . . . . 0.0 111.416 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -71.29 -39.99 71.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 112.476 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.1 -50.37 73.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.68 0.673 . . . . 0.0 110.379 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.18 -40.21 88.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.488 0.715 . . . . 0.0 111.326 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -61.1 -38.5 86.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.729 1.15 . . . . 0.0 112.099 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -80.47 -27.9 37.72 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.81 -40.12 19.12 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.038 -1.038 . . . . 0.0 113.663 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 126.779 2.032 . . . . 0.0 111.908 -179.742 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -103.43 129.22 50.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.046 1.338 . . . . 0.0 110.31 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -91.6 121.05 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.677 1.591 . . . . 0.0 109.421 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.82 76.36 5.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.291 1.437 . . . . 0.0 109.57 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -64.09 -29.52 70.65 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.97 -46.67 88.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.847 0.859 . . . . 0.0 111.627 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.27 -25.82 36.25 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.787 -0.571 . . . . 0.0 112.408 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.66 -34.8 71.64 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.197 -0.94 . . . . 0.0 112.603 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.15 -54.7 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 118.547 0.612 . . . . 0.0 111.136 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.32 -32.85 72.23 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.19 -28.59 69.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -90.82 -29.12 17.76 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.4 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 120.211 1.369 . . . . 0.0 113.155 -179.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.79 -36.81 83.27 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.105 -0.997 . . . . 0.0 112.256 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.5 m -81.79 -30.48 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.021 0.528 . . . . 0.0 112.19 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.9 m -61.29 -43.39 98.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.81 0.732 . . . . 0.0 111.481 172.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.19 55.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.379 0.671 . . . . 0.0 110.782 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.9 mtm -57.21 -36.37 70.79 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -40.9 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.193 0.597 . . . . 0.0 111.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.82 -40.79 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.469 -0.769 . . . . 0.0 110.956 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.66 -40.18 88.51 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.692 0.797 . . . . 0.0 111.677 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.69 -42.32 99.57 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.142 0.577 . . . . 0.0 111.716 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.52 89.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.748 0.819 . . . . 0.0 112.542 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -66.55 -39.03 88.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.239 0.615 . . . . 0.0 111.904 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.66 -34.99 76.66 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.242 -0.911 . . . . 0.0 112.235 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -63.15 -40.37 97.35 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.362 0.983 . . . . 0.0 111.727 167.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.26 -50.12 74.9 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.169 0.895 . . . . 0.0 111.739 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 N--CA 1.471 0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 112.912 177.471 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.6 p -120.52 162.23 19.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.577 1.951 . . . . 0.0 110.56 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.28 -33.65 71.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.52 -21.98 61.84 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -83.97 -43.63 15.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.201 -0.937 . . . . 0.0 110.036 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.38 -39.55 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.333 1.053 . . . . 0.0 111.395 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -26.04 68.12 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.163 0.985 . . . . 0.0 113.612 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -87.29 -42.0 13.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.431 1.092 . . . . 0.0 111.365 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -67.1 -28.5 68.22 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.635 0.774 . . . . 0.0 112.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -60.99 -42.12 97.82 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.636 1.175 . . . . 0.0 112.914 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.08 -38.42 88.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.427 0.691 . . . . 0.0 111.648 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.67 53.02 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.119 0.568 . . . . 0.0 112.04 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -58.57 -39.72 81.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.439 1.095 . . . . 0.0 112.284 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -70.0 -14.46 62.71 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.29 -32.05 55.22 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.78 1.173 . . . . 0.0 111.695 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -86.4 -10.21 54.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.475 1.51 . . . . 0.0 113.126 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -79.74 76.91 6.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.333 1.453 . . . . 0.0 110.228 167.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.94 -23.56 64.16 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.98 -17.04 24.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.017 1.327 . . . . 0.0 113.479 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.98 30.16 48.33 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.615 1.102 . . . . 0.0 113.066 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -102.02 -6.18 23.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.773 1.629 . . . . 0.0 114.143 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.11 11.5 67.22 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.971 1.272 . . . . 0.0 114.518 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.0 p -126.79 160.84 29.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.3 1.84 . . . . 0.0 111.419 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -117.07 160.55 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.877 0.871 . . . . 0.0 110.31 165.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -72.58 150.3 43.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -55.62 -36.77 67.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.984 1.314 . . . . 0.0 112.301 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.78 -28.54 67.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.035 1.334 . . . . 0.0 113.677 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.68 -8.35 56.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.707 1.203 . . . . 0.0 113.14 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.71 -49.82 75.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.971 1.259 . . . . 0.0 111.405 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.68 -21.93 73.2 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.277 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 m -78.1 -50.66 11.59 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.66 1.23 . . . . 0.0 110.476 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.46 -38.46 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.058 0.845 . . . . 0.0 112.585 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.23 -40.42 86.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.703 1.138 . . . . 0.0 112.475 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -73.01 -28.24 62.25 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.806 -0.559 . . . . 0.0 112.506 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -69.33 -28.52 66.31 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.982 -1.074 . . . . 0.0 112.93 169.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -83.47 10.07 9.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.161 1.784 . . . . 0.0 112.561 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.41 12.84 82.03 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.623 1.106 . . . . 0.0 114.587 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.78 147.24 37.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.78 1.29 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -116.25 28.94 0.12 Allowed Pre-proline 0 CA--C 1.563 1.472 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -68.71 159.2 54.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.605 1.966 . . . . 0.0 110.884 171.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -72.2 166.17 22.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.266 0.626 . . . . 0.0 112.504 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.71 -33.85 70.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.965 0.506 . . . . 0.0 111.794 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -40.74 73.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.126 0.971 . . . . 0.0 112.637 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.7 -39.86 88.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.21 0.604 . . . . 0.0 111.455 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.16 -37.77 86.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.695 0.68 . . . . 0.0 111.868 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.2 -40.85 94.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.547 0.739 . . . . 0.0 111.274 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.67 -33.49 75.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.047 0.939 . . . . 0.0 112.831 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtt -66.03 -31.06 71.73 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.993 0.917 . . . . 0.0 112.098 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.13 -52.91 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.757 0.823 . . . . 0.0 109.418 171.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -55.55 -27.89 51.61 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -68.31 -23.64 64.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.079 1.351 . . . . 0.0 113.164 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.4 m -123.86 -24.85 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -88.72 8.63 27.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 113.456 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.47 69.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.209 1.403 . . . . 0.0 113.425 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.24 -0.5 56.81 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.883 1.273 . . . . 0.0 113.115 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.51 28.55 39.11 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.133 1.349 . . . . 0.0 113.585 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.21 -39.98 96.17 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.6 -7.84 23.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.533 1.54 . . . . 0.0 114.741 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -143.82 160.35 40.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.146 2.178 . . . . 0.0 111.006 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.4 130.91 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.906 1.682 . . . . 0.0 109.154 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -90.23 152.02 21.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.68 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -52.69 -51.85 69.77 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -170.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.92 -26.54 59.08 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.317 1.863 . . . . 0.0 113.554 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.44 -42.54 64.93 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.664 1.12 . . . . 0.0 110.955 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.1 -42.88 81.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.763 1.225 . . . . 0.0 112.247 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 -39.0 87.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.366 0.53 . . . . 0.0 112.374 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 m -64.3 -45.71 86.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.3 1.04 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.84 -31.46 72.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -65.4 -55.37 18.46 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.128 0.877 . . . . 0.0 110.99 170.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.225 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.25 -37.61 60.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.055 0.942 . . . . 0.0 111.817 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.93 -41.63 86.69 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.455 -0.778 . . . . 0.0 110.704 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mt -65.04 -38.23 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.509 1.123 . . . . 0.0 110.849 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.55 -44.55 96.0 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.992 0.917 . . . . 0.0 112.617 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.24 -32.51 74.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.481 0.712 . . . . 0.0 112.217 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.56 71.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 112.753 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -78.05 -36.92 47.88 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.557 -0.714 . . . . 0.0 112.354 168.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -62.52 -35.15 78.48 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.286 0.635 . . . . 0.0 112.516 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.27 -19.17 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.8 -0.35 55.88 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.017 1.327 . . . . 0.0 113.69 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -79.29 65.22 4.4 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.087 1.355 . . . . 0.0 110.876 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -63.61 -25.94 68.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.451 1.5 . . . . 0.0 113.929 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.64 -14.55 48.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.136 1.374 . . . . 0.0 113.482 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.03 11.75 83.77 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.862 1.22 . . . . 0.0 114.014 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -86.11 -18.27 32.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.861 1.265 . . . . 0.0 114.307 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.98 17.35 54.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.494 1.521 . . . . 0.0 114.022 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -139.65 155.95 47.11 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.655 1.582 . . . . 0.0 112.679 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.16 173.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.044 1.738 . . . . 0.0 109.654 167.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.4 p -105.46 162.2 13.67 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.408 -1.433 . . . . 0.0 112.454 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.93 74.69 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.085 -1.009 . . . . 0.0 111.525 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.85 81.31 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.67 0.788 . . . . 0.0 112.356 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.07 -44.85 91.16 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.497 0.719 . . . . 0.0 110.661 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 mt -56.63 -41.32 76.91 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.173 0.897 . . . . 0.0 112.229 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -66.47 -9.67 36.71 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -110.14 -52.73 2.75 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.994 1.317 . . . . 0.0 112.131 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.06 -23.85 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.636 1.174 . . . . 0.0 113.21 -170.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.8 mmt -87.89 -13.85 40.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.466 1.107 . . . . 0.0 113.751 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -115.55 3.12 13.96 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -165.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.36 -18.9 0.87 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.34 127.05 41.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.527 1.131 . . . . 0.0 110.34 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.31 -140.51 37.54 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.65 0.643 . . . . 0.0 111.805 -174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.54 150.87 48.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.16 0.505 . . . . 0.0 110.701 164.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -94.46 127.45 40.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.983 -1.073 . . . . 0.0 112.216 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -73.32 140.61 46.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.7 0.8 . . . . 0.0 110.823 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -66.51 150.62 48.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.767 1.627 . . . . 0.0 110.937 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.33 -29.25 70.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.875 1.27 . . . . 0.0 113.961 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.52 -35.73 45.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.66 0.784 . . . . 0.0 111.671 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.6 -40.81 55.89 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.977 0.911 . . . . 0.0 111.709 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.52 -32.69 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.56 1.073 . . . . 0.0 111.654 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.14 -39.96 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.333 -0.854 . . . . 0.0 112.072 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.72 -33.86 74.65 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.973 0.909 . . . . 0.0 112.015 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.3 ttm -59.29 -47.29 85.93 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.234 -0.916 . . . . 0.0 110.93 168.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.47 -28.22 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.057 0.943 . . . . 0.0 113.189 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -52.1 -37.82 55.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.434 1.015 . . . . 0.0 112.502 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -11.21 34.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.695 1.198 . . . . 0.0 113.609 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -38.3 14.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.935 1.243 . . . . 0.0 113.005 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.35 1.86 . . . . 0.0 114.501 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.434 0 CA-C-O 120.087 -0.285 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -84.17 149.05 26.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.161 1.384 . . . . 0.0 109.997 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 119.33 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.59 96.89 5.59 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 162.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -66.65 -22.54 66.1 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.97 -44.03 97.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.748 1.219 . . . . 0.0 111.737 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.16 -29.69 57.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.815 0.846 . . . . 0.0 112.336 170.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.55 -37.07 85.91 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.025 -1.047 . . . . 0.0 112.345 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -51.22 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.873 0.869 . . . . 0.0 110.244 168.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.25 -38.87 92.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.37 0.668 . . . . 0.0 112.174 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.1 mtm -68.85 -33.95 74.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 112.847 174.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.7 ttm -71.53 -43.33 66.63 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.682 0.793 . . . . 0.0 111.984 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.478 0.936 0 C-N-CA 125.01 1.324 . . . . 0.0 114.115 -175.671 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.6 -46.93 62.47 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.361 -0.837 . . . . 0.0 111.625 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -67.52 -32.51 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.739 0.7 . . . . 0.0 111.548 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 60.6 m -62.27 -45.86 91.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.516 1.053 . . . . 0.0 112.082 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.59 86.18 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.51 -0.744 . . . . 0.0 111.336 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.5 mtm -66.76 -31.0 71.36 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 8.8 t -65.26 -44.78 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.464 1.105 . . . . 0.0 111.315 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.33 -41.0 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.464 0.575 . . . . 0.0 110.825 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -62.47 -40.93 98.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.618 0.767 . . . . 0.0 111.833 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -65.81 -42.45 90.64 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.113 -0.992 . . . . 0.0 111.187 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.68 88.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.944 0.898 . . . . 0.0 112.502 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 55.7 t80 -67.77 -41.52 83.17 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.879 -0.513 . . . . 0.0 111.704 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -63.59 -35.81 81.74 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.006 -1.058 . . . . 0.0 112.188 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.56 -40.66 84.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.084 0.954 . . . . 0.0 111.944 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.83 -42.83 94.4 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.867 0.867 . . . . 0.0 111.731 172.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.019 0.928 . . . . 0.0 112.709 176.164 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.0 p -132.05 159.86 37.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.292 1.837 . . . . 0.0 111.347 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.76 -39.69 74.48 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.327 1.051 . . . . 0.0 112.651 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.99 -22.8 63.1 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -84.34 -44.48 13.75 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.57 0.748 . . . . 0.0 110.675 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.73 -39.25 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.589 1.156 . . . . 0.0 111.636 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.22 68.15 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.247 1.019 . . . . 0.0 113.639 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -90.37 -37.24 14.14 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.246 1.018 . . . . 0.0 112.036 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -63.9 -28.73 70.03 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.428 -0.795 . . . . 0.0 112.976 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.7 tppt? -54.64 -40.64 69.2 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.598 1.159 . . . . 0.0 112.378 170.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.28 -42.88 78.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.677 0.791 . . . . 0.0 112.12 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.96 75.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.129 0.572 . . . . 0.0 112.21 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.01 -34.49 78.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.058 0.943 . . . . 0.0 112.115 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 t -62.17 -31.16 71.63 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.804 1.242 . . . . 0.0 113.88 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -25.26 61.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.695 -1.253 . . . . 0.0 112.811 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -90.51 -15.58 30.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.166 1.387 . . . . 0.0 112.509 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -78.16 69.22 4.34 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.822 1.649 . . . . 0.0 110.948 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -65.73 -24.88 67.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.055 1.342 . . . . 0.0 114.101 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.54 -19.49 31.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 113.109 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.3 9.87 86.57 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.81 1.195 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -91.2 -13.14 33.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.025 1.73 . . . . 0.0 113.741 -173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 19.63 17.17 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.116 1.341 . . . . 0.0 115.099 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -128.61 153.29 47.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.462 1.505 . . . . 0.0 111.695 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -115.49 162.42 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.088 1.355 . . . . 0.0 110.832 169.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 151.13 41.87 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.433 -0.792 . . . . 0.0 109.075 168.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -57.33 -36.69 71.47 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.364 1.066 . . . . 0.0 111.751 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.12 -24.04 67.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 113.776 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.85 -7.77 57.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.901 1.28 . . . . 0.0 112.613 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.51 -50.03 75.19 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.981 -1.075 . . . . 0.0 111.72 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.5 63.26 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.391 0.519 . . . . 0.0 112.852 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 -44.99 19.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.089 1.356 . . . . 0.0 110.771 173.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.18 -28.85 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 120.377 1.444 . . . . 0.0 112.243 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -56.94 -56.57 20.02 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.169 0.987 . . . . 0.0 110.765 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -67.99 -30.25 69.47 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -63.63 -36.2 83.05 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.88 -1.137 . . . . 0.0 112.712 171.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.54 -4.26 55.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.187 1.395 . . . . 0.0 114.033 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 9.59 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.831 1.205 . . . . 0.0 114.314 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.9 146.71 33.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.341 1.056 . . . . 0.0 109.83 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -128.92 48.44 3.64 Favored Pre-proline 0 CA--C 1.556 1.189 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -65.29 149.89 87.94 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.731 2.287 . . . . 0.0 110.746 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -71.88 167.26 20.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.713 0.805 . . . . 0.0 111.917 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.94 -37.17 71.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.722 0.809 . . . . 0.0 111.518 169.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.31 79.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 112.557 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.4 -44.33 91.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.593 0.633 . . . . 0.0 111.783 174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.93 -49.31 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.511 0.724 . . . . 0.0 110.88 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -65.23 -38.65 91.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.043 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.09 -34.74 78.73 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.563 1.074 . . . . 0.0 112.84 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -71.62 -41.65 68.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.57 0.623 . . . . 0.0 110.565 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.58 -46.59 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.96 0.904 . . . . 0.0 110.582 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -57.66 -31.95 66.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.599 1.159 . . . . 0.0 112.635 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.71 -48.85 12.97 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.633 0.773 . . . . 0.0 112.234 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -80.58 -26.18 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -174.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -95.64 27.8 3.29 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.924 1.29 . . . . 0.0 112.848 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.87 64.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -84.99 -12.22 53.73 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 113.441 173.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.73 12.01 82.09 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.195 1.379 . . . . 0.0 115.747 171.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.74 -22.69 64.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.956 1.378 . . . . 0.0 114.353 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.38 9.27 85.16 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.404 1.478 . . . . 0.0 114.054 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -134.45 159.82 39.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.741 1.616 . . . . 0.0 112.565 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.3 mt -128.46 130.99 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.165 1.786 . . . . 0.0 109.176 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.22 151.96 20.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.083 1.753 . . . . 0.0 111.085 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.458 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 34.1 t80 -50.37 -52.76 51.77 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -171.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.73 -24.51 47.37 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.482 2.121 . . . . 0.0 113.591 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.29 -38.51 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.207 0.912 . . . . 0.0 111.016 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.89 -39.93 95.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.518 1.127 . . . . 0.0 112.08 169.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.39 -34.46 78.21 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.908 -1.12 . . . . 0.0 112.539 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 m -61.85 -41.57 97.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.07 0.948 . . . . 0.0 111.233 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ptp -75.28 -32.52 61.04 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.279 0.945 . . . . 0.0 112.975 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mmm -64.88 -33.9 77.1 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.096 0.862 . . . . 0.0 112.735 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 124.259 1.024 . . . . 0.0 112.748 175.56 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.83 -34.68 78.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.048 0.939 . . . . 0.0 112.687 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.81 -41.25 75.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.265 0.938 . . . . 0.0 110.41 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.2 -41.7 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.628 0.771 . . . . 0.0 110.097 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -65.45 -43.26 90.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.634 0.652 . . . . 0.0 112.154 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.71 -36.31 76.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.744 0.818 . . . . 0.0 112.412 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.7 70.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -80.43 -38.96 29.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.076 0.853 . . . . 0.0 112.928 167.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -58.2 -34.52 70.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.992 0.917 . . . . 0.0 112.714 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.06 -26.6 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.76 -12.88 40.9 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.374 1.07 . . . . 0.0 113.144 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.73 127.76 32.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.952 0.901 . . . . 0.0 110.225 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.94 -10.31 59.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.441 1.096 . . . . 0.0 113.845 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -131.08 -14.08 3.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.463 1.905 . . . . 0.0 113.555 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.1 8.97 85.82 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.353 1.454 . . . . 0.0 113.563 -171.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -67.06 -24.39 65.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.671 1.988 . . . . 0.0 115.485 -166.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.05 12.63 17.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.376 1.465 . . . . 0.0 114.382 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -139.26 140.47 37.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.893 1.277 . . . . 0.0 114.281 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.93 158.42 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.419 1.888 . . . . 0.0 109.839 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 m -78.01 149.05 34.1 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.142 -0.974 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.53 98.69 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.749 -1.219 . . . . 0.0 112.448 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.474 -0.767 . . . . 0.0 111.952 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.98 -49.66 73.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.89 1.676 . . . . 0.0 111.324 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.99 -46.79 85.99 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.488 -0.758 . . . . 0.0 111.242 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -55.71 -45.44 77.9 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.526 0.731 . . . . 0.0 111.547 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.86 -45.03 65.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.93 -26.26 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.467 -1.396 . . . . 0.0 112.246 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.94 -34.88 62.15 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.685 1.194 . . . . 0.0 113.819 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.3 p -84.85 -22.9 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.228 0.922 . . . . 0.0 112.803 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -99.69 -40.04 7.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -170.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.7 157.95 15.67 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.613 1.165 . . . . 0.0 112.584 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.39 -147.98 46.5 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.312 1.434 . . . . 0.0 113.82 168.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.78 122.03 18.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 157.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -75.34 119.74 19.86 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.741 -0.6 . . . . 0.0 111.856 -166.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.1 153.91 31.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.781 0.832 . . . . 0.0 110.504 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 p -86.98 156.62 19.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.874 1.269 . . . . 0.0 112.821 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -55.94 -39.18 71.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.926 1.29 . . . . 0.0 112.808 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.14 -34.68 76.79 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.792 0.837 . . . . 0.0 112.206 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -77.18 -44.91 28.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.47 -29.06 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.66 1.118 . . . . 0.0 112.513 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.11 -41.21 90.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.514 1.052 . . . . 0.0 111.582 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -70.05 -33.13 71.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.13 0.572 . . . . 0.0 111.987 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -64.75 -47.65 77.45 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.465 -0.772 . . . . 0.0 110.909 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.57 -44.8 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.552 1.141 . . . . 0.0 111.362 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.52 -40.4 62.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.879 1.272 . . . . 0.0 112.414 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -91.77 -27.35 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.55 -42.37 12.11 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -175.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.475 0.792 0 O-C-N 121.337 -0.852 . . . . 0.0 112.919 -172.237 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.318 0 CA-C-O 120.033 -0.315 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -101.51 133.98 45.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.245 1.418 . . . . 0.0 109.394 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.85 121.01 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.909 1.683 . . . . 0.0 109.102 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.04 97.24 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 165.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -73.6 -25.44 60.33 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.29 -43.91 98.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.959 0.904 . . . . 0.0 111.615 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -74.9 -34.96 62.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.85 0.86 . . . . 0.0 111.87 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -63.16 -36.48 83.76 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.389 -0.819 . . . . 0.0 112.87 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.1 t -55.28 -33.55 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.795 0.838 . . . . 0.0 112.627 174.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.22 -46.06 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.183 0.901 . . . . 0.0 111.786 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.9 ptp -74.31 -11.77 60.36 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.7 mtm -84.25 -37.91 21.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.48 1.037 0 C-N-CA 124.81 1.244 . . . . 0.0 113.775 -175.797 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.44 -35.73 78.02 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.656 -0.653 . . . . 0.0 112.208 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.8 m -87.23 -29.13 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.887 0.875 . . . . 0.0 112.754 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 67.8 m -64.36 -39.19 93.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.124 -0.985 . . . . 0.0 111.645 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.76 51.98 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.96 -17.3 35.75 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 97.3 t -82.11 -41.51 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.301 0.955 . . . . 0.0 111.131 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.56 -43.03 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.561 -0.712 . . . . 0.0 110.754 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.01 -29.29 68.26 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.91 -44.84 91.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.524 1.056 . . . . 0.0 111.036 170.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.55 76.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.957 0.903 . . . . 0.0 111.901 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.48 -36.8 71.27 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.985 -1.072 . . . . 0.0 112.939 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -63.44 -32.69 74.21 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.535 -1.353 . . . . 0.0 111.88 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -69.84 -42.7 73.24 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.421 1.088 . . . . 0.0 111.819 170.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -52.69 -48.95 66.21 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.822 -1.174 . . . . 0.0 112.079 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 123.524 0.73 . . . . 0.0 111.833 178.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -117.97 158.07 25.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.692 1.597 . . . . 0.0 110.841 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.82 -31.53 70.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.34 -24.51 63.0 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.971 0.909 . . . . 0.0 113.239 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -80.17 -45.76 17.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.352 0.661 . . . . 0.0 109.94 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.44 -35.31 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.062 0.945 . . . . 0.0 111.561 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.66 70.65 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.2 1.0 . . . . 0.0 113.624 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.79 -38.89 20.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.1 0.96 . . . . 0.0 111.441 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -65.82 -33.11 75.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.728 0.811 . . . . 0.0 111.813 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 3.8 tppp? -55.81 -46.97 77.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.421 1.088 . . . . 0.0 111.415 170.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.62 -42.63 95.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.627 0.771 . . . . 0.0 111.447 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.59 80.66 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -66.94 -35.22 79.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.038 0.935 . . . . 0.0 112.229 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -61.55 -31.09 71.1 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.68 1.192 . . . . 0.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -27.99 67.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.455 -0.778 . . . . 0.0 112.06 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -92.59 -16.95 25.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.439 1.496 . . . . 0.0 112.944 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.02 72.0 4.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.111 1.364 . . . . 0.0 111.427 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -64.7 -31.17 72.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.387 1.075 . . . . 0.0 113.607 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.05 -16.64 35.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.875 1.27 . . . . 0.0 113.35 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 8.73 87.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.852 1.215 . . . . 0.0 114.372 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.93 -11.95 49.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.363 1.465 . . . . 0.0 113.47 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.53 27.97 12.19 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.325 1.441 . . . . 0.0 113.804 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -132.89 154.27 50.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.089 1.356 . . . . 0.0 112.565 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.81 164.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.283 1.833 . . . . 0.0 110.139 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -80.78 164.47 22.7 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.201 0.91 . . . . 0.0 110.656 165.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -63.44 -19.68 64.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.072 0.949 . . . . 0.0 111.464 170.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -74.15 -18.58 60.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.04 -9.91 23.31 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.742 1.617 . . . . 0.0 112.755 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.89 -49.94 75.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.013 0.925 . . . . 0.0 111.049 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.26 -26.34 70.46 Favored Glycine 0 N--CA 1.471 1.014 0 O-C-N 121.593 -0.692 . . . . 0.0 113.488 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -74.44 -48.58 26.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.887 1.275 . . . . 0.0 110.837 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -29.7 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.888 0.767 . . . . 0.0 112.814 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 mmt -56.98 -52.28 65.87 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.296 0.953 . . . . 0.0 111.173 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.71 -30.93 67.61 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.817 . . . . 0.0 112.76 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -66.83 -28.52 68.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.303 -0.873 . . . . 0.0 112.825 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.82 -0.15 54.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.136 1.374 . . . . 0.0 113.109 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 8.57 77.65 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.037 1.303 . . . . 0.0 114.627 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -82.72 149.54 27.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.736 1.268 . . . . 0.0 110.206 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -123.87 49.76 3.0 Favored Pre-proline 0 CA--C 1.557 1.217 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.41 150.24 80.68 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.768 2.312 . . . . 0.0 111.013 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -74.4 169.66 17.25 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 111.432 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.74 -32.97 67.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.808 0.443 . . . . 0.0 111.932 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.69 65.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.35 1.06 . . . . 0.0 112.397 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -69.24 -32.99 72.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.621 0.646 . . . . 0.0 112.06 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.41 -47.64 72.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.231 0.612 . . . . 0.0 111.145 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.11 -39.49 86.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.806 0.73 . . . . 0.0 111.834 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.44 -34.72 74.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.803 1.241 . . . . 0.0 113.28 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.7 mtm -78.99 -46.77 17.54 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.774 0.829 . . . . 0.0 111.555 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.24 -50.39 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.278 1.031 . . . . 0.0 111.23 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -21.78 65.96 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.718 1.144 . . . . 0.0 113.264 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.21 -47.95 46.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.66 0.784 . . . . 0.0 111.076 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.43 -31.97 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.836 0.744 . . . . 0.0 112.782 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.25 5.07 11.12 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.708 1.203 . . . . 0.0 113.611 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.21 -21.01 66.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.499 0.72 . . . . 0.0 112.391 167.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.15 -21.03 61.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.042 1.737 . . . . 0.0 113.152 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.15 72.62 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.233 1.397 . . . . 0.0 116.093 170.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -81.96 -11.81 58.68 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.484 1.642 . . . . 0.0 115.012 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.95 6.24 88.77 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 124.371 0.986 . . . . 0.0 115.532 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -128.74 163.63 24.72 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.797 . . . . 0.0 111.172 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.28 129.1 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.92 2.088 . . . . 0.0 108.312 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.24 158.79 16.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.58 1.152 . . . . 0.0 112.709 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 41.6 t80 -56.95 -48.5 97.32 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.851 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -54.09 -43.93 53.92 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.607 2.205 . . . . 0.0 114.286 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.54 -42.82 86.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.914 0.886 . . . . 0.0 112.067 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -56.6 -48.92 76.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.868 1.267 . . . . 0.0 111.246 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.6 -33.18 74.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.668 0.787 . . . . 0.0 112.891 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.0 m -65.92 -50.1 65.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.183 0.993 . . . . 0.0 111.013 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.54 -32.69 71.66 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.675 0.671 . . . . 0.0 112.669 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 46.8 mmm -61.59 -45.25 94.9 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.157 0.89 . . . . 0.0 112.403 171.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 124.475 1.11 . . . . 0.0 112.028 176.216 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.22 -42.69 79.4 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.557 0.743 . . . . 0.0 111.703 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.87 -42.22 90.63 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.44 -0.787 . . . . 0.0 110.953 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.8 mt -65.37 -43.73 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.744 0.818 . . . . 0.0 110.361 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -60.41 -43.47 96.68 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.528 0.604 . . . . 0.0 111.924 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.09 -34.55 78.29 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.311 0.505 . . . . 0.0 112.333 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.05 97.4 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.407 -0.808 . . . . 0.0 111.554 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -68.21 -35.29 77.75 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -63.03 -38.19 90.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.209 1.004 . . . . 0.0 111.851 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.2 t -57.89 -31.61 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.037 0.935 . . . . 0.0 111.943 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.31 -3.72 53.0 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -90.2 104.12 16.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.66 1.184 . . . . 0.0 109.699 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -76.27 -13.94 60.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.426 1.09 . . . . 0.0 113.37 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -112.22 -23.06 10.62 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.314 1.446 . . . . 0.0 113.433 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.98 18.3 75.18 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.623 1.106 . . . . 0.0 112.932 -171.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.92 -17.78 58.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.835 1.654 . . . . 0.0 114.642 -171.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.04 69.87 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.92 1.248 . . . . 0.0 113.505 -172.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -136.86 149.12 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.035 1.734 . . . . 0.0 112.047 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 pt -133.53 161.78 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.292 1.437 . . . . 0.0 111.145 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -76.21 141.8 41.68 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.881 -1.137 . . . . 0.0 111.962 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.7 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.503 -0.748 . . . . 0.0 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.39 80.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.574 0.749 . . . . 0.0 112.32 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.3 -49.1 68.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.862 0.865 . . . . 0.0 110.753 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -39.53 85.4 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 0.894 . . . . 0.0 111.903 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -62.52 -41.86 99.13 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.702 -0.624 . . . . 0.0 111.565 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -72.75 -43.05 63.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.219 1.007 . . . . 0.0 113.343 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -23.72 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.476 -1.39 . . . . 0.0 113.079 -173.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.6 mmt -81.08 -18.05 47.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.986 1.714 . . . . 0.0 114.071 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -115.65 -12.64 11.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.112 1.365 . . . . 0.0 113.695 -175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -101.17 -33.61 10.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.546 1.138 . . . . 0.0 114.046 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.9 mt -112.72 150.91 30.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.337 1.455 . . . . 0.0 112.419 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.69 -151.82 50.68 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.665 1.126 . . . . 0.0 113.475 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.15 142.48 50.71 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 160.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -93.43 138.77 31.42 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -167.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.52 153.06 25.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.029 0.931 . . . . 0.0 110.693 167.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -77.34 153.41 33.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.577 1.151 . . . . 0.0 112.128 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.53 -38.5 87.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.05 -29.44 67.58 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.68 0.792 . . . . 0.0 112.727 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.86 -47.1 9.99 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.575 1.15 . . . . 0.0 110.805 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.18 -32.89 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.89 1.223 . . . . 0.0 112.596 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.61 -36.3 83.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.207 -0.933 . . . . 0.0 112.116 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.93 -37.34 62.05 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.844 0.858 . . . . 0.0 111.566 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 54.8 ttm -53.97 -45.05 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.112 0.965 . . . . 0.0 111.325 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.8 mm -67.58 -51.36 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 122.999 0.52 . . . . 0.0 110.871 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -54.8 -42.9 72.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.709 0.804 . . . . 0.0 112.718 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -84.27 -11.22 56.81 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.4 -39.08 10.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.213 1.005 . . . . 0.0 112.649 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 N--CA 1.472 0.637 0 C-N-CA 125.54 1.536 . . . . 0.0 113.122 -177.356 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.005 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -84.53 151.35 24.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 109.84 161.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.6 t -85.16 124.48 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.116 1.766 . . . . 0.0 110.018 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -80.62 67.39 6.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.555 1.542 . . . . 0.0 111.018 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -61.99 -31.32 71.67 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.6 -29.07 69.8 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.74 -42.11 18.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.634 0.774 . . . . 0.0 111.304 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.76 -31.43 70.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.901 0.88 . . . . 0.0 113.1 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 t -44.29 -50.34 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.138 1.375 . . . . 0.0 111.564 166.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -86.07 -30.86 22.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.693 0.797 . . . . 0.0 111.876 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.9 mtm -65.66 -24.23 66.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.691 0.678 . . . . 0.0 112.656 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.3 mtm -75.68 -44.27 43.16 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.658 0.783 . . . . 0.0 113.04 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 123.767 0.827 . . . . 0.0 113.067 -175.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.98 -40.89 87.53 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.115 0.966 . . . . 0.0 112.276 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.1 m -81.38 -31.56 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.548 0.739 . . . . 0.0 112.767 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 71.4 m -61.56 -41.79 97.91 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.261 0.937 . . . . 0.0 111.789 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.64 58.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.503 1.121 . . . . 0.0 113.548 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -83.41 -21.29 33.04 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.6 t -76.46 -43.46 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.915 1.234 . . . . 0.0 111.247 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.97 -47.85 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 122.58 0.352 . . . . 0.0 110.767 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.18 -28.33 67.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.297 -0.859 . . . . 0.0 113.02 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.333 1.424 . . . . 0.0 111.466 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.04 76.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.758 0.823 . . . . 0.0 112.114 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -68.02 -40.83 82.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.233 0.613 . . . . 0.0 112.531 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.67 -45.8 90.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.371 1.068 . . . . 0.0 111.136 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -62.29 -41.48 98.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.17 -46.77 89.15 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.528 -0.732 . . . . 0.0 112.207 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.471 0.591 0 O-C-N 121.196 -0.94 . . . . 0.0 112.893 178.02 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -111.02 160.21 17.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.7 -34.43 74.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.177 0.991 . . . . 0.0 112.714 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.25 -22.47 63.84 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.95 -44.92 14.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.141 0.977 . . . . 0.0 110.463 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.67 -32.6 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.417 1.487 . . . . 0.0 111.874 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.27 67.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 113.444 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -88.95 -41.88 12.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.372 1.069 . . . . 0.0 111.443 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -65.96 -29.26 69.62 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.633 -0.667 . . . . 0.0 112.73 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.1 tppt? -51.91 -44.36 63.79 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 112.231 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.92 -36.13 79.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.915 0.886 . . . . 0.0 111.815 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.98 -42.06 40.44 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.25 0.477 . . . . 0.0 112.016 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.83 -43.45 98.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.238 1.015 . . . . 0.0 112.361 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -69.13 -15.12 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -26.86 59.78 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.896 1.226 . . . . 0.0 111.767 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -95.0 -2.83 49.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.011 1.724 . . . . 0.0 113.38 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -79.27 69.95 5.58 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.415 1.886 . . . . 0.0 110.448 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.16 -29.87 70.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.875 1.27 . . . . 0.0 113.382 -174.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.55 -19.44 38.56 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.946 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 3.31 90.61 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.007 1.289 . . . . 0.0 114.927 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -89.23 -9.61 50.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.363 1.465 . . . . 0.0 113.478 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.81 27.46 9.59 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.006 1.288 . . . . 0.0 113.555 -176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -130.73 137.44 49.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.278 1.431 . . . . 0.0 111.256 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -100.22 159.13 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.366 0.667 . . . . 0.0 110.289 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -75.15 150.4 38.75 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.296 1.038 . . . . 0.0 112.371 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.57 -25.5 66.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.234 1.014 . . . . 0.0 113.385 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.87 -6.61 58.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.812 1.245 . . . . 0.0 113.433 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.03 -47.49 85.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.381 0.991 . . . . 0.0 110.816 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.98 -27.98 72.1 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.848 -0.532 . . . . 0.0 112.944 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -74.14 -49.9 21.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.184 0.994 . . . . 0.0 110.833 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.79 -32.82 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.295 0.952 . . . . 0.0 111.829 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -57.47 -51.86 67.73 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.094 0.861 . . . . 0.0 111.209 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -62.32 -40.22 95.62 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.086 0.954 . . . . 0.0 112.768 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -65.46 -26.33 67.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.956 -1.09 . . . . 0.0 113.442 175.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -92.7 12.66 22.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 0.0 112.973 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.74 78.62 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.796 1.189 . . . . 0.0 115.0 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -81.65 146.31 30.12 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.608 1.204 . . . . 0.0 109.693 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -122.16 36.91 0.29 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -67.99 150.71 78.02 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.258 1.972 . . . . 0.0 110.997 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -73.62 167.95 20.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.754 1.222 . . . . 0.0 111.423 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.11 -38.36 68.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.763 0.825 . . . . 0.0 111.844 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.143 0.977 . . . . 0.0 112.389 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.3 -33.89 73.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.713 0.805 . . . . 0.0 111.736 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -50.9 68.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.809 0.844 . . . . 0.0 110.814 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -62.95 -37.42 86.98 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.391 0.542 . . . . 0.0 112.039 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.59 -31.5 68.1 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.889 1.276 . . . . 0.0 113.438 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -82.74 -43.54 16.67 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.621 0.768 . . . . 0.0 111.547 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.4 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.178 0.991 . . . . 0.0 110.78 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -20.82 66.22 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -79.55 -48.29 14.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.417 1.087 . . . . 0.0 111.152 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.64 -30.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.346 0.976 . . . . 0.0 113.438 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.15 25.93 7.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.221 1.408 . . . . 0.0 112.835 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.26 63.51 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.634 1.173 . . . . 0.0 114.008 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.6 -7.37 58.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.166 1.387 . . . . 0.0 113.976 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.95 28.7 44.8 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.787 1.184 . . . . 0.0 114.697 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.25 -36.71 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.604 1.161 . . . . 0.0 112.686 -176.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.99 5.56 89.63 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.484 1.516 . . . . 0.0 113.527 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -143.67 159.12 43.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.431 1.892 . . . . 0.0 112.208 -170.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mt -129.91 127.46 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.852 1.661 . . . . 0.0 109.371 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -84.65 153.76 22.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.656 1.583 . . . . 0.0 111.589 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 23.3 t80 -51.15 -53.02 53.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -171.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.49 -28.75 53.58 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.326 2.018 . . . . 0.0 113.216 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -73.14 -37.34 66.65 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.926 0.89 . . . . 0.0 111.838 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -61.76 -44.72 96.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.402 1.081 . . . . 0.0 111.264 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.2 -23.68 67.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -57.76 -38.02 74.67 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.343 0.974 . . . . 0.0 111.539 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.0 mtt -66.06 -31.9 73.05 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.795 -0.566 . . . . 0.0 112.348 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -81.94 -37.8 26.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.894 1.278 . . . . 0.0 112.199 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 125.069 1.348 . . . . 0.0 111.948 175.055 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.86 -33.56 14.89 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.56 1.544 . . . . 0.0 112.164 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.54 -41.73 75.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.689 0.795 . . . . 0.0 111.447 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.36 -26.84 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.495 0.718 . . . . 0.0 111.21 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -57.34 -37.99 73.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.785 1.234 . . . . 0.0 113.901 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.6 -35.7 78.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.845 0.858 . . . . 0.0 112.049 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.32 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.536 0.734 . . . . 0.0 111.839 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.16 -38.86 78.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.843 -0.535 . . . . 0.0 112.027 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -65.03 -32.46 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.88 -23.67 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.303 1.41 . . . . 0.0 113.363 172.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -89.54 -9.47 49.8 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.025 0.93 . . . . 0.0 112.991 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -78.94 130.48 35.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.7 1.6 . . . . 0.0 109.865 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.22 -13.24 60.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.4 -17.08 0.48 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.7 41.69 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.735 1.16 . . . . 0.0 112.474 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.27 -18.51 61.21 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.748 1.619 . . . . 0.0 114.243 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.05 50.17 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 125.241 1.401 . . . . 0.0 113.578 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.02 149.52 46.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.039 1.336 . . . . 0.0 113.805 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -138.52 158.91 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 126.803 2.041 . . . . 0.0 109.787 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 t -70.07 140.95 52.86 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.08 -1.012 . . . . 0.0 112.122 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.14 75.27 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.434 -0.791 . . . . 0.0 112.344 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.73 75.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.428 0.691 . . . . 0.0 111.177 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.45 -44.95 93.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.476 0.71 . . . . 0.0 110.722 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.04 -41.74 88.6 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.972 0.806 . . . . 0.0 111.483 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -64.36 -41.54 96.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.841 0.746 . . . . 0.0 112.056 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -72.98 -46.41 52.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.126 0.97 . . . . 0.0 113.007 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.27 -26.84 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.323 -1.486 . . . . 0.0 111.946 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.5 mmt -74.54 -16.65 60.82 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.4 p -109.2 -24.64 11.03 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.564 1.074 . . . . 0.0 112.649 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -91.21 -42.39 10.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.21 137.34 34.41 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.771 1.228 . . . . 0.0 110.872 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.24 -153.71 51.16 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.682 1.134 . . . . 0.0 113.403 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.36 163.02 19.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.474 0.71 . . . . 0.0 111.288 165.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.95 135.71 33.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.72 -1.238 . . . . 0.0 113.624 -172.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 tp -91.01 132.09 36.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 108.613 160.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -70.48 156.46 39.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.168 0.987 . . . . 0.0 110.42 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.36 -43.66 79.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.581 0.752 . . . . 0.0 111.703 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.25 -23.51 65.7 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.545 1.138 . . . . 0.0 113.354 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -83.72 -56.41 3.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.867 1.267 . . . . 0.0 109.907 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.02 -35.68 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.561 -0.712 . . . . 0.0 112.157 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -67.15 -30.68 70.73 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.418 1.008 . . . . 0.0 111.539 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.83 -36.11 42.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.206 1.002 . . . . 0.0 111.896 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttm -55.33 -44.62 76.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.737 0.815 . . . . 0.0 110.909 168.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.2 mm -70.3 -42.74 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.401 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -54.21 -41.74 68.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.44 1.018 . . . . 0.0 112.837 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.82 -5.46 59.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.34 -45.16 6.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 112.581 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.861 1.664 . . . . 0.0 113.575 -173.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 119.935 -0.37 . . . . 0.0 113.76 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -99.07 131.26 45.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.227 1.411 . . . . 0.0 110.186 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.8 124.47 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.292 1.837 . . . . 0.0 108.836 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -78.63 92.71 4.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 163.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -68.38 -26.35 65.53 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.296 -0.878 . . . . 0.0 113.117 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.513 0.725 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.49 -35.21 18.33 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.54 0.736 . . . . 0.0 112.312 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.9 -43.32 98.69 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.284 -0.885 . . . . 0.0 112.516 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -34.08 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.134 0.574 . . . . 0.0 112.351 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.01 -36.38 79.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.597 0.759 . . . . 0.0 110.948 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.4 mtm -69.95 -47.09 63.74 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -79.7 -19.34 49.17 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.485 1.295 0 CA-C-N 119.807 1.185 . . . . 0.0 112.768 170.183 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.3 mp0 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.15 78.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.468 1.107 . . . . 0.0 111.276 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.3 m -81.72 -26.85 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.018 0.927 . . . . 0.0 112.543 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 41.7 m -64.64 -46.16 83.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.013 0.925 . . . . 0.0 112.537 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.98 -39.83 59.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.562 0.745 . . . . 0.0 112.349 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.1 mtm -66.71 -20.07 65.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.388 1.075 . . . . 0.0 113.861 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.0 t -73.24 -35.96 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.69 1.132 . . . . 0.0 111.121 176.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.64 -39.33 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.937 0.895 . . . . 0.0 110.058 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.92 -49.1 76.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.035 0.934 . . . . 0.0 112.006 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -64.25 -33.73 76.48 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.051 0.841 . . . . 0.0 112.942 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.82 70.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.866 0.866 . . . . 0.0 111.442 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.73 -38.95 93.03 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.626 0.771 . . . . 0.0 112.28 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.25 -38.25 81.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.626 0.771 . . . . 0.0 112.894 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -66.33 -36.88 84.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.871 0.869 . . . . 0.0 111.69 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.74 0.816 . . . . 0.0 111.51 170.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 123.826 0.85 . . . . 0.0 113.27 178.51 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -108.17 160.02 16.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.255 1.022 . . . . 0.0 112.55 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.97 -35.02 72.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.802 0.841 . . . . 0.0 112.931 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.08 -21.59 63.13 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -82.45 -45.64 14.5 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.347 -0.846 . . . . 0.0 110.448 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -55.84 -37.68 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.253 1.421 . . . . 0.0 111.636 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -25.35 68.34 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.037 . . . . 0.0 113.612 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.23 -43.29 10.5 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.284 1.034 . . . . 0.0 111.186 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.75 -26.97 68.89 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.16 -37.87 75.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.462 0.705 . . . . 0.0 112.422 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.46 -40.38 81.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.286 0.634 . . . . 0.0 111.448 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.17 74.89 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.982 0.513 . . . . 0.0 112.326 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.53 -39.03 88.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.85 0.86 . . . . 0.0 111.763 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.6 t -65.79 -26.65 67.79 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -23.03 61.44 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.866 -1.146 . . . . 0.0 112.421 178.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -94.76 -6.5 42.89 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.415 1.886 . . . . 0.0 113.407 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.98 71.17 9.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.363 1.465 . . . . 0.0 109.96 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.21 -22.21 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.73 -21.61 37.83 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 9.39 86.82 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.802 1.191 . . . . 0.0 114.181 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.2 -10.34 50.12 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.721 1.608 . . . . 0.0 113.478 -174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.84 19.44 31.5 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.139 1.352 . . . . 0.0 113.92 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -131.92 158.65 40.84 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.798 1.639 . . . . 0.0 111.518 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -120.98 161.82 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.639 1.176 . . . . 0.0 110.755 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 p -80.41 155.43 27.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.665 0.786 . . . . 0.0 111.29 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -61.4 -30.03 70.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 0.0 112.326 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.54 -34.02 77.28 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.35 1.06 . . . . 0.0 113.25 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -88.27 -9.95 51.23 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.342 1.057 . . . . 0.0 113.481 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.55 -48.01 72.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.765 0.826 . . . . 0.0 111.239 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -24.9 67.86 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.005 0.812 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -76.03 -42.71 47.02 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.324 1.45 . . . . 0.0 110.959 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.29 -39.61 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.015 0.825 . . . . 0.0 111.055 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.1 mmt -58.28 -55.12 39.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.827 0.851 . . . . 0.0 111.725 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -67.08 -28.54 68.27 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -67.51 -25.84 66.05 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.22 7.28 46.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.714 2.005 . . . . 0.0 112.923 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.72 8.0 85.15 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.14 1.352 . . . . 0.0 115.319 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -92.49 123.48 35.83 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.018 1.409 . . . . 0.0 109.278 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.48 81.94 18.57 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.971 0.908 . . . . 0.0 111.307 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.53 160.49 38.36 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.392 2.728 . . . . 0.0 111.496 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -73.3 169.13 17.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.786 0.834 . . . . 0.0 110.381 163.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.57 -36.73 72.08 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.695 -0.628 . . . . 0.0 111.91 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.74 59.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.055 0.942 . . . . 0.0 112.249 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -31.13 69.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.871 0.868 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.63 -49.14 67.23 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.73 -36.54 81.27 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.357 0.663 . . . . 0.0 112.059 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.63 -37.11 82.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.926 1.291 . . . . 0.0 113.315 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.8 mtm -72.58 -43.4 63.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.517 0.599 . . . . 0.0 111.29 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.72 -58.88 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.942 0.897 . . . . 0.0 111.181 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -64.84 -18.21 64.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.918 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.81 -28.57 62.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.63 1.172 . . . . 0.0 112.706 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 m -102.49 -30.45 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.44 1.018 . . . . 0.0 113.542 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -91.21 26.71 2.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.917 1.687 . . . . 0.0 112.191 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.28 -23.28 66.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.839 1.256 . . . . 0.0 113.746 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.54 -9.59 59.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.188 1.395 . . . . 0.0 113.676 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.2 16.85 70.78 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.843 1.211 . . . . 0.0 115.166 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.84 -27.22 65.64 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.844 1.322 . . . . 0.0 114.246 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.89 7.6 87.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.209 1.385 . . . . 0.0 113.461 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -140.17 154.9 47.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.585 1.954 . . . . 0.0 110.824 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.9 mt -121.94 130.24 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.802 1.641 . . . . 0.0 108.696 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -92.99 153.37 18.78 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.268 1.427 . . . . 0.0 110.631 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.72 -49.29 84.06 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.93 -23.59 54.35 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.267 1.978 . . . . 0.0 113.863 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.99 -43.4 44.62 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.75 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -39.26 73.21 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.331 1.052 . . . . 0.0 111.685 168.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.62 -25.56 63.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.09 -1.006 . . . . 0.0 113.58 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.6 m -66.55 -44.34 82.61 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.63 1.105 . . . . 0.0 111.243 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -71.61 -13.1 61.66 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -82.67 -48.02 11.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.325 1.05 . . . . 0.0 110.476 169.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.421 0 C-N-CA 125.439 1.496 . . . . 0.0 113.688 -176.269 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.24 -46.66 73.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.444 0.698 . . . . 0.0 110.635 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.28 -41.12 96.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.024 0.53 . . . . 0.0 111.1 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.41 -42.27 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.417 1.087 . . . . 0.0 111.353 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -74.79 -43.3 55.45 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.939 0.791 . . . . 0.0 112.335 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.99 -20.43 65.88 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.809 -1.182 . . . . 0.0 113.177 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.95 -19.67 65.3 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 171.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -85.13 -27.51 26.17 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.425 1.012 . . . . 0.0 113.3 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -69.31 -26.19 64.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.7 -14.52 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 169.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.03 7.89 30.05 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.814 1.646 . . . . 0.0 112.812 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -154.3 65.95 0.7 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.735 2.014 . . . . 0.0 109.886 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.15 -11.94 61.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -172.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -76.3 -17.63 59.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.272 1.429 . . . . 0.0 112.7 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 22.16 72.19 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.701 1.143 . . . . 0.0 114.421 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.46 -28.17 67.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.862 1.265 . . . . 0.0 114.063 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 4.91 61.32 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.42 1.486 . . . . 0.0 113.938 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -134.03 150.59 51.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.049 1.339 . . . . 0.0 113.288 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 pt -140.92 156.06 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.469 1.908 . . . . 0.0 110.356 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m -74.21 143.61 45.08 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.477 -0.764 . . . . 0.0 112.005 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.12 79.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.622 -0.673 . . . . 0.0 112.35 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.81 76.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.392 1.077 . . . . 0.0 113.009 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.4 -48.1 57.72 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.725 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 tp -58.59 -47.49 84.11 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.718 -0.614 . . . . 0.0 110.882 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.7 ttp-105 -56.58 -39.51 73.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.242 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.54 -45.24 84.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.421 -0.8 . . . . 0.0 112.73 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -54.91 -51.0 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.365 1.438 . . . . 0.0 110.13 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -20.37 65.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.0 p -114.39 -14.39 12.2 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -107.09 -51.68 2.88 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.573 1.079 . . . . 0.0 112.955 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -88.0 143.81 26.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.687 1.195 . . . . 0.0 112.293 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.06 -157.14 46.83 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.321 1.439 . . . . 0.0 113.511 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.52 146.38 50.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.178 0.591 . . . . 0.0 109.952 162.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -91.29 148.34 22.41 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.3 tp -88.24 140.33 29.59 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.92 1.288 . . . . 0.0 109.275 166.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -70.45 155.89 40.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.247 1.019 . . . . 0.0 110.792 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.55 -40.44 68.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.746 1.218 . . . . 0.0 113.074 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.21 -39.45 68.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.752 0.821 . . . . 0.0 112.075 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -66.85 -46.47 74.96 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.063 1.345 . . . . 0.0 110.917 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.16 -32.79 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.371 0.987 . . . . 0.0 112.086 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.28 -43.85 89.85 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 171.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.85 -38.79 92.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.914 0.886 . . . . 0.0 111.662 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttm -58.68 -52.52 65.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.641 0.776 . . . . 0.0 111.081 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.0 mm -65.42 -40.09 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -54.48 -44.09 72.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.141 0.976 . . . . 0.0 112.057 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.84 -24.12 41.52 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.44 -43.15 9.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.791 1.236 . . . . 0.0 113.655 -172.563 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.35 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -122.33 143.66 49.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.991 1.716 . . . . 0.0 111.1 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.37 126.68 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.52 1.928 . . . . 0.0 108.489 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.02 100.72 9.89 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 160.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -71.53 -26.27 62.58 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.08 -54.9 41.82 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 111.619 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.65 -23.38 59.85 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.763 -0.586 . . . . 0.0 112.347 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.17 -38.43 91.16 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.148 -0.97 . . . . 0.0 111.838 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.87 -40.84 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.906 0.775 . . . . 0.0 111.723 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.9 -32.46 73.98 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.617 0.644 . . . . 0.0 111.701 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.4 mtm -70.71 -39.66 73.31 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.352 -0.843 . . . . 0.0 112.35 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.34 -35.44 79.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.477 0.891 0 CA-C-N 119.012 0.824 . . . . 0.0 112.341 175.23 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 55.1 mp0 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.808 0.843 . . . . 0.0 112.446 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.4 m -86.61 -32.49 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.9 m -62.82 -38.81 92.22 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.387 -0.821 . . . . 0.0 112.181 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.33 14.24 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.439 1.495 . . . . 0.0 114.093 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.6 mtm -85.67 -24.53 27.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.771 1.228 . . . . 0.0 113.525 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 40.3 t -76.0 -30.88 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.106 0.866 . . . . 0.0 111.295 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.84 -42.05 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.883 0.873 . . . . 0.0 110.372 170.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -70.16 -34.24 72.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.069 0.948 . . . . 0.0 111.592 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -61.17 -20.98 63.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.689 1.596 . . . . 0.0 113.421 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.39 8.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.668 1.587 . . . . 0.0 112.468 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -65.59 -45.24 83.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -65.32 -34.87 79.35 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.998 -0.438 . . . . 0.0 111.755 175.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -67.59 -40.71 84.77 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.633 1.573 . . . . 0.0 112.104 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.03 -48.77 80.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.038 1.335 . . . . 0.0 112.298 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.47 0.555 0 C-N-CA 123.538 0.735 . . . . 0.0 112.04 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -89.7 156.91 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 111.793 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -57.75 -36.88 72.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.001 0.921 . . . . 0.0 112.384 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.7 -21.86 62.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.065 0.946 . . . . 0.0 113.449 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -82.28 -44.77 15.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.963 0.802 . . . . 0.0 110.328 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.25 -38.2 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.32 1.048 . . . . 0.0 111.775 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.78 67.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.201 1.0 . . . . 0.0 113.196 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.19 -44.69 11.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.805 0.842 . . . . 0.0 111.39 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -66.97 -27.17 67.24 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.629 -0.67 . . . . 0.0 112.523 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.87 -41.13 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.127 0.971 . . . . 0.0 112.815 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.64 -40.87 84.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.594 0.758 . . . . 0.0 111.704 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.78 82.28 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.767 -0.583 . . . . 0.0 112.557 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.01 -36.32 82.96 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.781 0.832 . . . . 0.0 111.799 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 t -61.23 -32.25 72.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -19.45 60.5 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.022 -1.049 . . . . 0.0 113.387 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.54 -13.57 21.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.455 1.502 . . . . 0.0 112.993 173.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.96 62.19 1.59 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.172 1.789 . . . . 0.0 110.435 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.59 -16.3 61.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.458 1.503 . . . . 0.0 113.28 -171.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.67 -20.92 35.26 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.644 1.578 . . . . 0.0 113.311 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 8.72 86.97 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.658 1.599 . . . . 0.0 114.463 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.04 -11.28 39.26 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.474 1.509 . . . . 0.0 113.67 -172.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 23.44 16.54 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.17 1.366 . . . . 0.0 113.877 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -135.07 144.16 47.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.909 1.684 . . . . 0.0 111.706 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -105.84 160.99 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.34 1.056 . . . . 0.0 109.724 165.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -78.02 154.43 31.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.158 0.435 . . . . 0.0 110.398 163.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -58.09 -30.63 66.39 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.367 1.067 . . . . 0.0 112.488 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.68 -32.5 74.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.813 1.245 . . . . 0.0 113.199 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.43 -8.9 58.15 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.826 0.85 . . . . 0.0 112.76 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.7 -48.35 81.17 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.52 -1.362 . . . . 0.0 112.022 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.21 63.3 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 118.941 -0.922 . . . . 0.0 112.691 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -81.55 -43.28 18.95 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.969 1.708 . . . . 0.0 111.481 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.54 -33.54 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.385 1.448 . . . . 0.0 111.876 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.2 mtp -68.83 -31.43 70.4 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.68 -0.637 . . . . 0.0 112.406 173.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -74.22 -34.76 63.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.247 -0.908 . . . . 0.0 112.501 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -66.06 -28.75 69.08 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.352 -0.842 . . . . 0.0 112.724 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.78 0.41 54.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.611 1.564 . . . . 0.0 112.995 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.34 12.09 82.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.392 1.472 . . . . 0.0 115.51 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.31 -37.88 31.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.799 1.299 . . . . 0.0 111.85 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 55.67 56.49 10.19 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 126.273 1.829 . . . . 0.0 112.614 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.34 141.12 46.02 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.8 2.333 . . . . 0.0 111.309 -169.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -63.55 146.6 53.37 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.547 1.139 . . . . 0.0 109.947 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.74 -41.12 90.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.715 0.806 . . . . 0.0 112.8 -170.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.94 84.76 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -69.25 -44.96 70.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.191 0.997 . . . . 0.0 110.753 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.04 -51.79 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.333 1.453 . . . . 0.0 111.367 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.19 -37.42 87.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.005 0.366 . . . . 0.0 111.974 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.51 -31.35 72.02 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.931 -1.106 . . . . 0.0 112.984 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.63 -37.9 70.82 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.335 0.654 . . . . 0.0 111.133 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.61 -45.96 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 109.809 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.48 -29.32 64.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.28 -51.43 37.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.709 0.804 . . . . 0.0 111.054 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.7 -24.09 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -103.02 23.36 12.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.859 1.664 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.0 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -89.31 -4.92 57.93 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.636 1.575 . . . . 0.0 113.875 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.97 25.71 59.49 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.595 1.093 . . . . 0.0 114.496 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -62.2 -34.7 76.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.616 1.166 . . . . 0.0 113.838 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.83 89.32 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 126.149 1.833 . . . . 0.0 113.659 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.0 p -138.25 159.5 41.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.919 1.688 . . . . 0.0 112.48 -170.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.68 127.75 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.505 1.922 . . . . 0.0 107.587 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.02 163.02 17.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.032 0.933 . . . . 0.0 112.428 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -57.21 -51.63 80.2 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-O 116.673 -1.632 . . . . 0.0 114.547 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 -30.72 46.82 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 122.135 1.798 . . . . 0.0 113.486 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.47 -40.44 85.3 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.484 1.493 . . . . 0.0 112.087 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -60.1 -45.69 92.12 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.5 0.72 . . . . 0.0 111.754 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.2 -31.67 72.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.646 0.778 . . . . 0.0 112.86 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -70.91 -31.16 67.7 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -67.52 -49.23 64.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.267 0.939 . . . . 0.0 111.125 166.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mmm -59.67 -40.91 89.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.499 1.12 . . . . 0.0 113.186 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 125.652 1.581 . . . . 0.0 113.714 178.389 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.28 -33.26 69.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.458 0.703 . . . . 0.0 112.711 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -71.15 -38.93 72.2 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.598 -0.689 . . . . 0.0 110.532 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.98 -45.07 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.98 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -61.91 -43.94 97.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.616 . . . . 0.0 112.593 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.48 -32.59 74.29 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.26 0.624 . . . . 0.0 112.529 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.51 87.57 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.12 -0.987 . . . . 0.0 111.979 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -69.19 -35.92 76.76 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -69.8 -32.76 71.4 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.394 0.677 . . . . 0.0 112.738 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.91 -31.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.072 -1.018 . . . . 0.0 111.283 168.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.12 9.93 31.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.832 1.253 . . . . 0.0 114.094 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -143.32 66.87 1.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.07 1.748 . . . . 0.0 110.403 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -63.98 -14.09 51.3 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.66 -17.16 52.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.34 1.456 . . . . 0.0 113.162 173.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.32 23.19 76.32 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.423 1.011 . . . . 0.0 113.858 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -68.46 -26.22 65.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.735 1.214 . . . . 0.0 114.128 -175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.18 69.83 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.48 1.514 . . . . 0.0 113.797 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.29 151.61 45.23 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.78 1.632 . . . . 0.0 112.036 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.64 160.58 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.407 1.883 . . . . 0.0 109.601 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -74.01 146.46 43.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.594 -1.316 . . . . 0.0 111.695 173.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.17 84.34 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.978 -1.076 . . . . 0.0 112.238 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.16 73.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.6 0.76 . . . . 0.0 111.619 173.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.51 -46.97 85.99 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.611 1.164 . . . . 0.0 111.154 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.78 96.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.953 0.901 . . . . 0.0 111.03 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -59.15 -42.68 91.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.328 0.513 . . . . 0.0 111.679 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -69.93 -46.34 65.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.956 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -22.34 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.849 -1.157 . . . . 0.0 112.116 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.77 -18.45 54.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.908 2.083 . . . . 0.0 114.559 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.5 p -116.74 13.95 15.22 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.961 1.304 . . . . 0.0 114.232 -172.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -4.12 0.76 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.01 145.12 51.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.395 1.478 . . . . 0.0 111.144 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.38 -79.99 1.03 Allowed Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.5 1.048 . . . . 0.0 111.542 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.59 149.38 27.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.922 2.089 . . . . 0.0 108.257 164.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -74.47 116.13 14.8 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.34 -0.85 . . . . 0.0 111.223 -174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.81 139.51 56.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.803 1.241 . . . . 0.0 110.313 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.5 150.66 48.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.479 1.112 . . . . 0.0 110.734 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.59 -39.18 90.28 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.14 -28.77 67.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.904 0.882 . . . . 0.0 112.831 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.81 -53.34 8.04 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.817 0.847 . . . . 0.0 109.631 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.61 -32.83 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.617 -0.677 . . . . 0.0 112.243 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.86 -36.92 85.52 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.06 -1.025 . . . . 0.0 111.728 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.34 -35.44 63.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.754 0.422 . . . . 0.0 111.638 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.5 ttm -57.52 -39.61 76.94 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 111.688 171.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mm -71.37 -44.65 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.186 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -57.05 -42.79 81.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.884 1.22 . . . . 0.0 111.908 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -74.98 -8.77 57.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.17 -43.3 7.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 112.186 171.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 114.21 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.132 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -88.43 133.57 34.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.943 1.297 . . . . 0.0 109.146 160.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.6 t -92.61 125.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 127.266 2.226 . . . . 0.0 108.721 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -77.97 87.91 4.14 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -67.57 -27.28 66.8 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.252 -0.905 . . . . 0.0 113.104 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.59 -44.75 95.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.303 0.641 . . . . 0.0 111.277 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -69.77 -38.52 76.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.395 0.678 . . . . 0.0 111.565 171.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -62.04 -34.75 76.81 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.41 -50.06 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.11 0.868 . . . . 0.0 110.742 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -72.67 -26.95 61.81 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.608 0.763 . . . . 0.0 112.517 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -75.63 -35.23 60.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.668 0.667 . . . . 0.0 112.421 171.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.0 ttp -78.33 -31.92 48.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.591 1.156 . . . . 0.0 113.482 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.781 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.43 -45.59 75.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.569 0.748 . . . . 0.0 111.533 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.9 m -72.19 -30.95 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.907 0.776 . . . . 0.0 112.258 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.6 m -63.2 -44.14 96.17 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.146 -0.971 . . . . 0.0 111.804 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.22 70.81 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.5 mtm -75.86 -47.09 26.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.683 0.793 . . . . 0.0 112.352 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.2 t -62.6 -37.83 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.253 1.021 . . . . 0.0 111.887 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.53 -49.79 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.611 0.641 . . . . 0.0 111.638 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -75.7 -25.81 56.99 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -56.83 -49.75 74.48 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.136 0.975 . . . . 0.0 110.727 169.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.45 94.64 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.799 0.84 . . . . 0.0 112.249 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.36 -41.22 94.05 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.775 0.43 . . . . 0.0 112.026 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.95 -34.25 73.18 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.409 -0.807 . . . . 0.0 112.639 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -60.56 -47.27 86.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.615 1.166 . . . . 0.0 110.616 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.4 -47.96 83.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.407 1.083 . . . . 0.0 112.73 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 124.045 0.938 . . . . 0.0 112.497 175.547 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -91.62 162.63 14.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.27 -36.52 82.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.53 0.732 . . . . 0.0 112.35 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.89 -26.61 60.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.49 -48.83 53.84 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 118.591 0.632 . . . . 0.0 110.591 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.13 -41.8 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.276 1.03 . . . . 0.0 111.284 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -26.99 68.66 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.48 -45.52 14.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 110.575 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -65.96 -28.07 68.63 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.523 0.729 . . . . 0.0 112.344 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.29 -38.61 66.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 112.504 170.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.67 -27.15 37.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.537 1.135 . . . . 0.0 112.263 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.07 -35.4 59.42 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.408 -0.807 . . . . 0.0 111.923 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -71.89 -38.02 70.05 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.486 1.114 . . . . 0.0 112.675 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -67.76 -26.34 66.07 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.35 -22.13 61.94 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.404 -0.81 . . . . 0.0 113.103 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -96.81 -12.57 23.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.614 1.565 . . . . 0.0 113.109 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.07 58.55 2.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.783 1.633 . . . . 0.0 110.424 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -71.9 -21.51 61.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.666 1.186 . . . . 0.0 113.032 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.33 -19.29 39.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.063 1.345 . . . . 0.0 113.102 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.68 7.3 87.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.852 1.215 . . . . 0.0 115.186 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.91 -13.2 56.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.134 1.374 . . . . 0.0 113.967 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 18.54 32.06 Favored Glycine 0 N--CA 1.473 1.123 0 C-N-CA 125.063 1.316 . . . . 0.0 113.856 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -127.66 155.73 43.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.465 1.906 . . . . 0.0 111.458 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 pt -113.55 160.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 109.675 162.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -78.46 159.6 28.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.303 0.573 . . . . 0.0 111.481 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 p -61.66 -29.92 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.071 0.949 . . . . 0.0 112.474 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -73.15 -32.95 65.21 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.21 -13.72 59.52 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.0 0.92 . . . . 0.0 113.433 175.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.3 -48.37 74.2 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.243 0.929 . . . . 0.0 110.679 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.7 -25.27 71.62 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 121.588 -0.695 . . . . 0.0 113.31 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -79.02 -43.05 25.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.79 1.236 . . . . 0.0 111.437 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.05 -30.94 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.316 0.962 . . . . 0.0 112.111 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -60.92 -49.35 77.8 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.361 0.982 . . . . 0.0 111.52 169.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.59 -35.06 79.25 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.981 0.913 . . . . 0.0 112.69 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.3 m -68.37 -27.54 66.33 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.07 -1.019 . . . . 0.0 113.467 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.6 4.8 48.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.419 1.488 . . . . 0.0 112.881 170.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.4 8.63 80.71 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.489 1.518 . . . . 0.0 115.243 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.51 141.46 28.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.113 1.457 . . . . 0.0 111.346 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -133.54 64.56 68.89 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.207 1.403 . . . . 0.0 113.107 -172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -67.05 161.63 41.8 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.512 2.808 . . . . 0.0 111.3 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.7 p -69.21 165.78 19.74 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.776 0.431 . . . . 0.0 110.892 168.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.33 -36.8 73.94 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.86 -44.83 69.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.008 0.923 . . . . 0.0 112.452 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -65.45 -40.02 92.72 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.69 0.677 . . . . 0.0 111.49 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.03 -49.54 74.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.161 0.984 . . . . 0.0 110.907 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -42.31 91.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.926 0.891 . . . . 0.0 111.59 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.96 -35.51 80.14 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.293 -0.88 . . . . 0.0 113.226 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.04 -36.63 83.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.301 0.955 . . . . 0.0 111.379 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.3 mt -64.56 -49.6 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.796 0.839 . . . . 0.0 109.893 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -57.23 -29.93 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -75.28 -12.14 60.21 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.02 -24.65 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -126.81 54.71 1.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.684 1.594 . . . . 0.0 110.222 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.92 68.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.213 1.405 . . . . 0.0 113.603 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.46 -10.6 58.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.478 1.511 . . . . 0.0 113.675 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.55 40.79 26.5 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.586 1.088 . . . . 0.0 114.321 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -68.41 -25.33 64.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.293 1.047 . . . . 0.0 113.262 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.67 5.2 75.01 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 125.385 1.469 . . . . 0.0 114.19 -177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.0 p -141.24 151.54 43.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.074 1.75 . . . . 0.0 111.859 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.53 128.65 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.443 1.897 . . . . 0.0 108.462 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.87 158.67 18.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 0.0 110.531 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.91 -47.46 86.5 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -172.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.46 -26.8 23.91 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.828 2.046 . . . . 0.0 113.12 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.78 -43.69 71.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.676 1.125 . . . . 0.0 111.028 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -59.21 -38.17 79.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.972 0.909 . . . . 0.0 111.874 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.59 -26.24 61.62 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.064 -1.022 . . . . 0.0 113.473 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -64.21 -48.72 74.77 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.545 1.066 . . . . 0.0 110.608 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -65.88 -19.59 65.93 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.63 -41.31 21.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.327 1.051 . . . . 0.0 112.407 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.192 0.997 . . . . 0.0 112.344 177.784 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.46 -27.68 68.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 112.239 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.97 -39.04 79.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.321 1.049 . . . . 0.0 111.377 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -77.62 -37.73 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.79 1.236 . . . . 0.0 110.367 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -61.75 -39.7 92.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -63.86 -34.36 77.76 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.005 0.821 . . . . 0.0 111.999 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.0 92.93 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.521 -0.737 . . . . 0.0 112.176 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -69.68 -36.4 75.97 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.546 -0.721 . . . . 0.0 112.709 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -63.14 -35.07 79.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.003 0.921 . . . . 0.0 111.889 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.7 -39.0 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.0 1.32 . . . . 0.0 111.797 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -80.91 -21.55 40.46 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -71.99 113.37 8.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.189 0.904 . . . . 0.0 110.13 168.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -83.68 -9.12 59.08 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.19 -25.05 5.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.765 1.226 . . . . 0.0 113.407 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.97 19.47 57.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.141 1.353 . . . . 0.0 113.221 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.15 -18.91 61.85 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.209 1.404 . . . . 0.0 113.811 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.06 13.91 56.96 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.658 1.599 . . . . 0.0 113.413 -174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -140.68 152.8 45.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.594 1.558 . . . . 0.0 112.613 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -124.18 164.82 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.748 1.619 . . . . 0.0 109.211 164.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -85.03 153.63 22.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.352 -1.467 . . . . 0.0 111.48 169.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.42 70.55 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.014 -1.054 . . . . 0.0 112.148 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.85 77.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.194 0.998 . . . . 0.0 112.398 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.73 -50.31 74.35 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.604 0.762 . . . . 0.0 110.183 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.35 -43.54 83.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.105 0.962 . . . . 0.0 111.85 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -29.1 69.78 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.581 1.153 . . . . 0.0 113.232 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -88.32 -51.96 5.46 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.112 -0.993 . . . . 0.0 112.771 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.68 -21.01 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.077 1.351 . . . . 0.0 113.572 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.5 mmt -90.3 -18.54 25.41 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.7 p -106.77 -20.6 13.29 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.592 1.087 . . . . 0.0 113.739 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.87 -9.53 24.12 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 mt -124.87 159.7 30.49 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.106 1.763 . . . . 0.0 112.307 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.51 -139.44 31.92 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.847 1.213 . . . . 0.0 113.741 167.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -89.68 71.39 7.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.296 1.438 . . . . 0.0 107.772 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -35.27 125.2 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.821 2.449 . . . . 0.0 114.862 -162.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.71 133.46 48.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.154 1.382 . . . . 0.0 110.673 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -76.14 157.97 32.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.982 1.313 . . . . 0.0 110.701 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.76 -44.63 63.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.87 1.268 . . . . 0.0 113.13 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 -27.01 63.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.064 0.946 . . . . 0.0 112.94 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -80.62 -46.96 14.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.342 1.057 . . . . 0.0 110.714 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.83 -33.84 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.443 1.02 . . . . 0.0 112.082 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.97 -41.69 97.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.237 0.615 . . . . 0.0 111.748 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.84 -40.16 63.5 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.344 0.658 . . . . 0.0 111.671 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.7 ttm -52.63 -47.32 67.13 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.074 0.95 . . . . 0.0 111.499 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.6 mt -80.01 -34.29 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.776 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -56.18 -37.46 69.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.923 1.238 . . . . 0.0 111.188 170.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.64 -8.42 59.71 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.16 -46.61 4.79 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.107 1.321 . . . . 0.0 113.11 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.548 0.882 0 C-N-CA 125.525 1.53 . . . . 0.0 114.031 -172.217 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.13 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -86.44 140.4 30.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.356 1.062 . . . . 0.0 109.029 160.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.32 121.03 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.178 1.791 . . . . 0.0 108.866 -176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -81.26 77.39 8.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.887 1.275 . . . . 0.0 110.446 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -53.5 -26.46 20.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.077 1.351 . . . . 0.0 114.603 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.54 -40.52 79.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.966 0.906 . . . . 0.0 112.045 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -73.55 -36.7 65.67 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.989 0.915 . . . . 0.0 111.189 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.21 -39.54 94.91 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.498 -0.751 . . . . 0.0 112.433 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.23 -40.2 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.531 0.605 . . . . 0.0 111.546 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.66 -46.16 86.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.509 0.595 . . . . 0.0 110.548 175.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -64.84 -24.7 67.62 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mtm -72.92 -36.63 67.29 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.316 0.962 . . . . 0.0 113.26 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -166.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.38 -44.58 58.28 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.158 -0.964 . . . . 0.0 111.953 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -32.14 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.144 0.884 . . . . 0.0 111.193 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 73.3 m -61.31 -44.1 97.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.949 0.795 . . . . 0.0 111.749 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.85 84.12 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.559 -0.713 . . . . 0.0 111.011 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.2 mtm -60.81 -38.65 86.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.68 -46.82 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.273 0.942 . . . . 0.0 110.857 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.32 -38.48 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 0.0 111.618 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -59.21 -48.1 82.89 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.065 0.946 . . . . 0.0 110.96 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.82 -37.69 82.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.234 0.614 . . . . 0.0 112.565 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.06 84.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.857 0.863 . . . . 0.0 111.616 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.59 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.469 0.708 . . . . 0.0 111.899 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -66.77 -38.16 86.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.986 -1.071 . . . . 0.0 112.817 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -63.78 -36.37 83.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.346 0.976 . . . . 0.0 112.203 170.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 66.7 t60 -65.3 -44.37 88.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.663 0.785 . . . . 0.0 112.755 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.473 0.714 0 O-C-N 121.122 -0.986 . . . . 0.0 112.905 -177.114 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.7 mt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 p -103.55 163.01 12.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.197 1.799 . . . . 0.0 110.497 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.16 -35.0 74.35 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.06 -27.12 62.48 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.11 -42.71 31.12 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.697 0.681 . . . . 0.0 110.514 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.49 -43.26 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.091 0.957 . . . . 0.0 111.329 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.38 71.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.867 0.867 . . . . 0.0 113.252 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -76.42 -41.55 47.24 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.348 1.059 . . . . 0.0 111.258 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.53 -30.36 69.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.223 0.609 . . . . 0.0 112.5 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -59.19 -39.47 82.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.608 1.163 . . . . 0.0 112.514 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.26 -41.16 99.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.649 0.78 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.06 59.75 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.04 -39.4 94.61 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.145 0.978 . . . . 0.0 111.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -68.1 -17.22 64.31 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -30.14 56.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.626 1.103 . . . . 0.0 112.164 174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.69 -21.11 25.42 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 0.0 112.753 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -73.93 71.98 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 110.872 168.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -63.89 -25.92 68.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.844 1.658 . . . . 0.0 114.192 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.78 -15.97 31.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.754 1.622 . . . . 0.0 113.331 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 23.55 76.73 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.251 0.929 . . . . 0.0 113.386 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.95 -4.86 29.24 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.483 1.513 . . . . 0.0 113.701 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.82 13.38 56.73 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 124.9 1.238 . . . . 0.0 114.804 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 151.38 50.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.167 1.387 . . . . 0.0 112.974 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.65 166.19 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.746 1.618 . . . . 0.0 109.976 165.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 p -75.92 163.26 27.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.978 0.808 . . . . 0.0 112.313 168.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -60.83 -35.49 76.66 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.098 0.959 . . . . 0.0 111.724 167.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -61.25 -42.03 97.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.768 1.227 . . . . 0.0 112.963 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.86 -15.65 61.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.491 1.116 . . . . 0.0 113.439 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.31 -50.05 72.54 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.934 0.894 . . . . 0.0 110.572 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -17.94 68.43 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 118.843 -0.976 . . . . 0.0 113.872 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 m -86.03 -44.48 12.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.299 1.44 . . . . 0.0 110.954 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.13 -30.18 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 119.982 1.265 . . . . 0.0 112.741 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.9 mmt -57.97 -45.48 86.65 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.195 0.907 . . . . 0.0 111.187 167.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -74.71 -28.47 60.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.384 1.074 . . . . 0.0 113.215 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -31.19 72.02 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.007 0.923 . . . . 0.0 111.801 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.2 -1.36 57.37 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.798 1.639 . . . . 0.0 113.576 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.21 6.1 63.28 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 118.2 -1.334 . . . . 0.0 115.87 169.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -107.67 136.41 47.47 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.992 1.896 . . . . 0.0 111.239 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.92 85.91 12.59 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.182 1.393 . . . . 0.0 110.697 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.59 146.48 55.13 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.149 2.566 . . . . 0.0 110.493 174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -68.22 162.14 25.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.849 0.859 . . . . 0.0 110.575 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -54.4 -39.03 66.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.238 0.615 . . . . 0.0 112.271 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.62 -47.27 67.11 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.58 -31.86 70.28 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.603 0.638 . . . . 0.0 111.852 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.99 -48.52 65.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 111.191 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.11 -37.25 86.45 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.159 0.584 . . . . 0.0 111.375 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.39 -32.15 72.07 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.654 1.182 . . . . 0.0 113.16 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.5 mtm -77.9 -46.45 21.3 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.015 0.825 . . . . 0.0 111.654 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.03 -55.22 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.401 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -64.9 -20.42 66.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.153 0.888 . . . . 0.0 113.288 -171.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -76.46 -27.6 56.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.62 1.168 . . . . 0.0 113.167 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.91 -27.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.348 0.976 . . . . 0.0 113.3 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -90.2 26.21 1.96 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.308 1.443 . . . . 0.0 112.026 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.04 65.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.513 1.125 . . . . 0.0 113.768 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.09 -12.23 58.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.65 1.58 . . . . 0.0 113.635 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.35 14.01 77.41 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.282 1.42 . . . . 0.0 115.764 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -70.9 -22.94 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.56 9.24 83.6 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.204 1.383 . . . . 0.0 113.44 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 p -138.0 157.62 46.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.092 1.757 . . . . 0.0 111.915 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.3 mt -129.82 129.99 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.06 1.744 . . . . 0.0 108.179 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.78 156.21 17.16 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.45 1.1 . . . . 0.0 110.118 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.65 -47.31 79.02 Favored Pre-proline 0 CA--C 1.549 0.937 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -23.18 24.57 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.59 1.961 . . . . 0.0 113.2 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.09 -41.73 66.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.225 0.921 . . . . 0.0 110.76 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -62.82 -39.21 93.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 0.0 112.29 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -68.78 -31.41 70.4 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.971 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -63.38 -45.51 90.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.995 1.27 . . . . 0.0 111.617 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.3 -32.23 73.77 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.595 0.634 . . . . 0.0 112.411 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.6 mmm -71.74 -43.7 65.37 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.475 -0.766 . . . . 0.0 112.082 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 112.584 177.726 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.24 -30.28 70.14 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -68.62 -41.33 79.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.118 0.567 . . . . 0.0 110.186 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.28 -45.4 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.822 1.249 . . . . 0.0 110.084 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -61.12 -47.14 87.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.233 1.013 . . . . 0.0 112.434 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.22 -28.27 66.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.73 99.35 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.954 0.797 . . . . 0.0 111.058 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.92 -39.96 91.01 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.062 -0.399 . . . . 0.0 111.867 171.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -68.82 -24.96 64.45 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 t -61.02 -32.29 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.118 0.872 . . . . 0.0 112.313 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -91.27 -19.74 22.65 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -61.94 142.32 57.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.253 1.421 . . . . 0.0 111.598 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -80.77 -17.35 51.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.455 1.102 . . . . 0.0 113.64 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -151.93 -10.2 0.2 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -172.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.89 22.76 48.34 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.14 1.352 . . . . 0.0 112.424 -166.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -16.83 61.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.113 1.365 . . . . 0.0 114.643 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.2 6.08 57.89 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.419 1.485 . . . . 0.0 114.97 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -134.45 146.33 49.7 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.37 165.15 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 127.379 2.271 . . . . 0.0 109.935 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -75.93 150.07 37.59 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.294 -1.503 . . . . 0.0 112.625 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.21 76.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.087 -1.008 . . . . 0.0 112.747 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.73 71.71 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.596 0.759 . . . . 0.0 111.167 173.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.02 -47.07 88.16 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.129 1.372 . . . . 0.0 111.477 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.49 -29.73 70.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.717 0.689 . . . . 0.0 112.746 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -68.48 -49.58 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.433 1.015 . . . . 0.0 110.488 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -65.99 -44.03 86.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.981 0.912 . . . . 0.0 112.876 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.66 -20.05 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.24 1.016 . . . . 0.0 112.6 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.7 mmt -92.98 -25.08 18.15 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.096 1.759 . . . . 0.0 114.237 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.6 p -102.24 -6.51 23.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.879 1.272 . . . . 0.0 113.348 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -111.87 -61.02 1.77 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.456 1.102 . . . . 0.0 112.412 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.22 146.96 29.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.719 1.208 . . . . 0.0 112.039 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.82 44.37 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.948 0.785 . . . . 0.0 112.449 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -74.37 169.12 18.31 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 122.534 -0.392 . . . . 0.0 110.759 163.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -127.05 119.94 27.8 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.59 -0.693 . . . . 0.0 111.559 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -81.78 172.21 13.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.895 0.878 . . . . 0.0 112.092 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.36 150.09 46.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.862 1.665 . . . . 0.0 113.146 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.92 -27.59 67.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 113.195 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.17 -35.19 59.27 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.679 -0.638 . . . . 0.0 111.855 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -45.86 43.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.156 0.982 . . . . 0.0 110.742 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.19 -30.42 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.903 1.229 . . . . 0.0 111.767 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.34 -44.52 83.07 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.021 -1.049 . . . . 0.0 111.931 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.98 -41.0 95.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.246 0.618 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.6 ttm -55.77 -41.88 74.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.272 1.029 . . . . 0.0 111.639 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.55 -43.75 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.584 0.754 . . . . 0.0 112.056 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.464 1.029 . . . . 0.0 113.186 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.58 -12.19 60.0 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.35 -35.98 7.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.9 1.28 . . . . 0.0 112.921 172.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.826 2.051 . . . . 0.0 114.199 -177.062 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 N-CA-C 114.351 0.5 . . . . 0.0 114.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -99.06 143.39 29.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.13 1.372 . . . . 0.0 109.95 167.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.12 122.81 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 126.435 1.894 . . . . 0.0 108.249 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.16 94.68 4.12 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 162.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -73.2 -21.89 60.57 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.0 -41.57 98.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.286 0.634 . . . . 0.0 111.651 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.01 -26.58 39.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.663 0.785 . . . . 0.0 112.752 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.53 -27.32 68.88 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.833 -1.167 . . . . 0.0 113.12 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.7 -38.92 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.678 1.191 . . . . 0.0 112.081 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -66.3 -33.0 74.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.44 0.696 . . . . 0.0 111.644 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 mtt -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.697 0.799 . . . . 0.0 112.155 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.5 mtm -82.76 -26.1 32.19 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-N 119.613 1.097 . . . . 0.0 111.609 174.373 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 48.0 mp0 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.71 -44.51 73.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.171 0.588 . . . . 0.0 111.72 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.7 m -73.08 -28.55 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.718 0.69 . . . . 0.0 112.176 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -66.17 -44.27 84.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.461 1.028 . . . . 0.0 111.332 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.63 -27.16 66.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.533 1.133 . . . . 0.0 112.958 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 59.8 mtt -66.61 -42.27 87.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.595 0.758 . . . . 0.0 112.577 172.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 88.5 t -67.26 -37.67 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.095 0.862 . . . . 0.0 111.376 -169.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.11 -48.68 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.161 0.584 . . . . 0.0 110.857 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -74.96 -24.33 58.44 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -67.75 -44.12 78.28 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.601 1.091 . . . . 0.0 111.248 169.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.08 95.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.468 0.707 . . . . 0.0 111.954 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.7 -45.96 84.37 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -67.88 -36.64 80.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.251 0.932 . . . . 0.0 112.183 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.59 -34.16 77.58 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.809 1.243 . . . . 0.0 111.871 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.14 -47.15 65.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.565 1.146 . . . . 0.0 112.446 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 125.425 1.49 . . . . 0.0 112.292 177.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p -112.25 162.09 15.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.424 1.889 . . . . 0.0 111.35 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.52 -32.78 73.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.523 0.729 . . . . 0.0 112.65 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.93 -25.8 60.17 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.21 -45.41 56.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.173 0.897 . . . . 0.0 110.702 167.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -56.94 -38.45 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.402 0.681 . . . . 0.0 111.554 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -28.61 69.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.83 -39.91 15.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.2 1.0 . . . . 0.0 111.724 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -65.85 -29.11 69.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.491 0.716 . . . . 0.0 111.924 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.17 -43.58 95.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -65.9 -37.93 87.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.745 0.818 . . . . 0.0 112.025 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.26 67.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.383 0.673 . . . . 0.0 112.491 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.23 -40.98 98.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.329 1.051 . . . . 0.0 112.25 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 m -67.93 -15.68 63.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -30.07 63.7 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.045 1.293 . . . . 0.0 111.359 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -86.85 -21.75 26.2 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.295 1.438 . . . . 0.0 112.634 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -75.62 85.03 2.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.732 1.213 . . . . 0.0 110.749 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.78 -27.29 62.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.46 -15.91 29.95 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.66 1.184 . . . . 0.0 113.544 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.4 74.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.982 1.277 . . . . 0.0 113.862 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.73 -6.96 53.75 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.316 1.446 . . . . 0.0 114.002 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.06 53.04 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.324 1.44 . . . . 0.0 115.044 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.3 p -129.77 154.05 47.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.38 1.472 . . . . 0.0 112.467 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -117.83 160.25 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.375 1.47 . . . . 0.0 110.527 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 m -75.4 151.39 38.16 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.643 -0.661 . . . . 0.0 109.293 169.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 p -58.73 -30.87 67.81 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.579 1.152 . . . . 0.0 112.526 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.24 -27.27 68.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.176 1.79 . . . . 0.0 113.465 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.72 -7.97 55.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.919 1.288 . . . . 0.0 112.516 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.22 -49.3 78.38 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.058 0.943 . . . . 0.0 111.341 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.09 -25.44 68.1 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 121.666 -0.646 . . . . 0.0 113.341 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -76.72 -49.31 16.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.684 1.194 . . . . 0.0 110.919 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.14 -31.43 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.921 0.782 . . . . 0.0 112.382 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 mmt -56.37 -52.23 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.73 0.812 . . . . 0.0 111.316 166.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -62.19 -40.83 97.37 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.131 1.373 . . . . 0.0 112.548 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -66.58 -26.41 67.09 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.116 -0.99 . . . . 0.0 113.526 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.05 11.59 22.54 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.437 1.495 . . . . 0.0 113.173 171.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.79 12.36 78.36 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 124.38 0.99 . . . . 0.0 114.795 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -77.62 146.61 36.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.083 0.942 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -124.51 55.29 9.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.35 147.71 42.17 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.201 2.601 . . . . 0.0 111.224 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -73.39 162.26 29.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.465 1.106 . . . . 0.0 110.334 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -53.82 -40.49 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.19 1.396 . . . . 0.0 112.738 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.42 80.14 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.924 0.89 . . . . 0.0 112.621 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.38 -45.07 66.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.528 0.731 . . . . 0.0 111.116 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.18 -48.06 79.69 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.288 0.635 . . . . 0.0 111.286 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.68 -47.59 84.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.754 0.422 . . . . 0.0 111.504 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.68 -31.32 71.21 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.486 -0.759 . . . . 0.0 112.922 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.1 mtm -69.71 -31.15 69.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.804 -0.56 . . . . 0.0 111.377 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.09 -48.63 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 118.939 0.79 . . . . 0.0 109.394 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -57.29 -27.6 62.29 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -70.58 -28.73 65.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.335 1.054 . . . . 0.0 112.827 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.85 -28.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.4 17.78 5.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.137 1.375 . . . . 0.0 112.576 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -23.09 63.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 113.433 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.34 -11.14 59.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.01 1.324 . . . . 0.0 113.73 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.38 18.74 70.59 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.12 1.343 . . . . 0.0 115.135 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.03 -30.4 67.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.33 4.94 90.35 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.186 1.374 . . . . 0.0 113.71 -171.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -140.07 161.25 38.07 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.688 1.995 . . . . 0.0 110.957 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.9 mt -121.64 131.96 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 125.886 1.675 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -94.73 151.97 18.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.305 1.442 . . . . 0.0 110.518 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.95 -51.54 66.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.834 -1.555 . . . . 0.0 114.939 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.51 -23.18 50.53 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.342 2.028 . . . . 0.0 113.57 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.85 -41.13 62.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.582 1.083 . . . . 0.0 110.755 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.6 -39.38 91.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 111.99 169.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.55 -32.04 71.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.231 -0.918 . . . . 0.0 112.363 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -63.62 -46.86 83.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.099 0.96 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 ptp -65.45 -39.77 92.43 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.902 0.773 . . . . 0.0 111.971 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.3 mmm -62.72 -33.59 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.041 0.936 . . . . 0.0 112.437 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 124.328 1.051 . . . . 0.0 112.537 172.413 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.93 -38.26 66.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.902 0.881 . . . . 0.0 111.806 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.0 -38.74 91.97 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.079 0.854 . . . . 0.0 110.513 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.67 -40.48 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 110.898 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -64.38 -42.54 96.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.762 0.825 . . . . 0.0 112.634 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.89 -35.2 76.03 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.507 -0.746 . . . . 0.0 112.424 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.01 79.93 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.453 -0.78 . . . . 0.0 112.734 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -70.93 -39.0 72.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.125 0.875 . . . . 0.0 112.645 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.03 -27.28 69.0 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.89 -35.72 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.174 0.99 . . . . 0.0 112.428 169.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -88.59 -21.0 24.26 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.91 139.06 58.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.47 1.108 . . . . 0.0 110.948 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -78.57 -12.5 60.02 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -146.15 -14.93 0.46 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.325 1.45 . . . . 0.0 114.33 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.49 25.67 32.42 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.994 1.283 . . . . 0.0 112.237 -167.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -76.19 -25.5 55.25 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.181 1.392 . . . . 0.0 114.149 -171.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.57 13.61 29.76 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 125.554 1.55 . . . . 0.0 113.512 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -142.51 139.46 31.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 114.461 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.38 156.41 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.078 1.751 . . . . 0.0 110.66 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -74.66 136.19 41.91 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.669 -1.269 . . . . 0.0 111.827 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.144 -0.972 . . . . 0.0 113.212 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.95 81.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.853 0.861 . . . . 0.0 112.811 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.5 -42.54 74.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.71 0.804 . . . . 0.0 110.764 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.44 -37.42 78.09 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.642 0.777 . . . . 0.0 111.556 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -65.27 -42.52 93.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.659 -0.651 . . . . 0.0 112.107 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -71.3 -48.59 49.76 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.799 0.84 . . . . 0.0 113.081 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.94 -21.22 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.291 1.036 . . . . 0.0 112.518 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -93.96 -17.46 22.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.3 p -101.32 -32.96 10.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.477 1.035 . . . . 0.0 112.224 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.91 -55.63 3.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.066 0.946 . . . . 0.0 111.97 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.18 154.0 20.5 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.188 1.395 . . . . 0.0 112.008 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 -134.62 14.91 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 111.569 -172.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.37 -171.53 3.5 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.471 0.708 . . . . 0.0 109.65 164.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -84.68 165.43 17.9 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.298 -1.501 . . . . 0.0 111.357 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.31 136.47 21.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.584 1.554 . . . . 0.0 108.496 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -74.47 158.58 33.58 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.399 1.08 . . . . 0.0 111.926 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.8 -44.92 82.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.755 1.222 . . . . 0.0 112.201 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.58 -21.36 62.69 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.303 1.041 . . . . 0.0 112.973 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.61 -57.58 3.39 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.978 0.911 . . . . 0.0 109.117 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.29 -32.32 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -171.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.63 -37.24 82.19 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.054 0.843 . . . . 0.0 111.614 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.65 -27.83 60.59 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.731 0.813 . . . . 0.0 111.881 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 52.2 ttm -57.26 -43.85 83.39 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.135 0.879 . . . . 0.0 111.249 170.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.97 -44.02 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.595 -0.691 . . . . 0.0 110.534 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.56 -27.58 68.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.139 0.976 . . . . 0.0 113.243 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -90.15 -37.01 14.49 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.028 1.331 . . . . 0.0 112.639 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.91 -41.34 19.01 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.604 1.561 . . . . 0.0 112.854 176.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 112.765 -0.134 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -86.95 123.39 32.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.695 0.798 . . . . 0.0 110.168 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.34 125.38 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 127.252 2.221 . . . . 0.0 109.588 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.05 96.13 6.38 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.188 0.518 . . . . 0.0 109.793 166.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -72.52 -25.82 61.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.9 -42.01 86.18 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.61 -0.681 . . . . 0.0 111.648 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.82 -37.53 76.27 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.533 0.733 . . . . 0.0 111.785 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.6 -40.08 93.51 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.088 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.67 -43.92 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.49 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -67.52 -31.19 71.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.206 0.912 . . . . 0.0 112.799 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 77.1 mtm -73.64 -36.9 65.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.233 0.613 . . . . 0.0 112.085 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.6 ttp -72.81 -37.3 67.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.935 1.294 . . . . 0.0 113.093 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.484 1.254 0 C-N-CA 124.629 1.171 . . . . 0.0 113.475 -178.369 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 42.6 mp0 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.508 0.194 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.15 -48.25 71.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 110.999 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.9 m -71.95 -26.91 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.322 -0.861 . . . . 0.0 113.083 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -67.26 -45.57 76.29 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.09 -1.006 . . . . 0.0 111.24 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.02 64.82 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.571 0.748 . . . . 0.0 112.683 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 58.2 mtt -59.19 -30.6 68.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.051 0.94 . . . . 0.0 113.32 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.4 t -71.2 -42.17 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.099 0.863 . . . . 0.0 110.288 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.09 -43.85 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.34 0.656 . . . . 0.0 110.117 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.41 -42.93 96.98 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.369 0.668 . . . . 0.0 111.579 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -60.94 -49.88 75.67 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.772 0.829 . . . . 0.0 111.326 175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.86 97.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.489 0.716 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.46 -41.17 76.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.205 0.602 . . . . 0.0 112.552 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -63.79 -41.05 98.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.311 0.96 . . . . 0.0 111.988 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -64.32 -35.36 80.6 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.111 0.964 . . . . 0.0 112.687 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.83 -50.84 61.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.913 0.885 . . . . 0.0 112.242 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 CA--C 1.537 0.463 0 O-C-N 121.137 -0.977 . . . . 0.0 113.432 178.653 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.3 p -96.51 161.54 13.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.899 1.28 . . . . 0.0 111.372 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.87 -31.67 71.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.63 -22.01 61.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.804 0.842 . . . . 0.0 113.24 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -82.12 -43.26 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.037 0.835 . . . . 0.0 110.343 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.19 -36.43 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.273 1.029 . . . . 0.0 110.99 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.27 66.55 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.33 -41.77 10.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.627 1.171 . . . . 0.0 111.569 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.41 -33.33 73.51 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.536 -0.728 . . . . 0.0 112.106 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -58.54 -39.97 81.67 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.114 0.966 . . . . 0.0 112.498 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.61 -40.22 80.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.56 0.618 . . . . 0.0 111.682 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.81 77.35 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.553 -0.717 . . . . 0.0 112.59 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.5 -40.16 73.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.941 0.896 . . . . 0.0 111.792 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 -18.39 64.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.39 -25.52 59.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.716 1.143 . . . . 0.0 112.715 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -89.81 -20.85 23.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 112.94 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -76.09 84.79 2.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.719 1.208 . . . . 0.0 110.948 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -71.83 -27.56 62.99 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -174.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -89.11 -17.64 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.646 1.179 . . . . 0.0 113.155 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.31 73.04 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.607 1.098 . . . . 0.0 113.849 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -94.13 -5.53 46.98 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.482 1.513 . . . . 0.0 113.992 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 16.42 53.44 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.838 1.209 . . . . 0.0 114.586 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.6 p -125.63 152.07 45.66 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.327 1.451 . . . . 0.0 112.501 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.66 164.55 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.796 1.638 . . . . 0.0 109.776 166.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.7 p -76.38 164.36 26.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.356 0.98 . . . . 0.0 112.494 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -62.71 -26.01 68.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.143 168.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.78 -44.35 50.01 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.472 1.109 . . . . 0.0 111.505 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -66.08 -20.97 66.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.76 1.224 . . . . 0.0 113.506 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.64 -52.1 63.34 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.572 -0.705 . . . . 0.0 111.447 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.36 -19.22 59.57 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.378 -0.679 . . . . 0.0 113.494 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 m -85.06 -43.37 13.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.347 1.459 . . . . 0.0 111.399 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.33 -27.99 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.203 1.365 . . . . 0.0 111.974 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 mmt -54.06 -51.05 65.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.769 0.828 . . . . 0.0 110.81 166.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.15 -28.65 61.42 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.282 1.033 . . . . 0.0 113.338 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -60.98 -32.25 71.81 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.188 -0.945 . . . . 0.0 112.039 167.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.66 11.07 30.23 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.59 1.956 . . . . 0.0 113.276 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.15 87.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.82 1.2 . . . . 0.0 115.156 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -90.03 132.58 35.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.923 1.289 . . . . 0.0 109.432 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -120.48 64.68 11.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.022 0.929 . . . . 0.0 112.681 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.42 142.13 32.75 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.319 2.679 . . . . 0.0 111.225 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 m -70.67 159.66 34.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.013 0.925 . . . . 0.0 109.961 175.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.13 -35.56 69.64 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.929 0.892 . . . . 0.0 112.745 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.41 74.33 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.851 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -74.34 -40.92 61.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.779 0.832 . . . . 0.0 110.731 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -58.67 -48.68 80.24 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.086 0.954 . . . . 0.0 110.474 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -58.81 -42.52 89.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.083 0.856 . . . . 0.0 111.948 176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.62 -35.36 79.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.049 0.94 . . . . 0.0 113.519 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 ptp -83.67 -35.96 24.14 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.075 0.852 . . . . 0.0 112.962 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.96 -54.82 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.583 1.153 . . . . 0.0 110.89 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -63.74 -21.41 66.39 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.752 1.16 . . . . 0.0 113.314 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.45 -22.14 51.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 113.364 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.02 -28.37 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.761 1.164 . . . . 0.0 113.362 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.8 25.04 2.89 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.984 1.714 . . . . 0.0 112.714 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.49 -20.25 62.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.897 1.279 . . . . 0.0 113.676 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.08 -15.34 59.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.32 1.448 . . . . 0.0 113.385 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.91 18.18 79.06 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.782 1.182 . . . . 0.0 113.758 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -73.34 -30.22 63.19 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.854 1.662 . . . . 0.0 113.404 -170.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.31 5.18 82.93 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.765 1.65 . . . . 0.0 114.342 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -136.1 156.4 48.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.779 1.632 . . . . 0.0 112.744 -171.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.78 131.39 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.066 2.146 . . . . 0.0 108.888 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.73 156.68 19.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 112.026 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.24 -51.4 81.13 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.71 -26.87 45.29 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.723 2.282 . . . . 0.0 113.298 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.91 -39.57 69.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.599 1.16 . . . . 0.0 111.472 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -62.58 -42.69 99.72 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 111.997 168.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.4 -32.18 73.68 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.1 m -64.01 -47.8 78.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.18 0.992 . . . . 0.0 110.971 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.4 ptp -67.18 -31.61 72.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.509 0.595 . . . . 0.0 112.47 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.81 -41.97 74.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.991 . . . . 0.0 112.116 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 124.346 1.058 . . . . 0.0 112.329 178.666 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.22 -42.28 69.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.82 0.848 . . . . 0.0 111.993 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -68.53 -40.7 80.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.003 0.921 . . . . 0.0 110.442 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.45 -42.5 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.959 1.304 . . . . 0.0 110.68 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -61.93 -45.31 94.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.498 0.719 . . . . 0.0 112.432 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -63.34 -32.64 74.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.26 96.87 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.469 1.031 . . . . 0.0 111.579 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -68.46 -39.11 81.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.732 -0.605 . . . . 0.0 112.383 169.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -64.53 -32.01 73.47 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.684 0.794 . . . . 0.0 112.686 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.52 -37.11 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.675 1.19 . . . . 0.0 111.908 170.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.69 -23.83 31.54 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -68.6 117.32 10.18 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.923 0.868 . . . . 0.0 110.242 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -81.69 -8.86 59.75 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 113.921 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.5 -20.76 5.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.35 1.46 . . . . 0.0 113.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.4 19.25 69.37 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.853 1.216 . . . . 0.0 113.123 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.85 -19.73 61.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.826 1.65 . . . . 0.0 114.472 -174.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.56 11.1 52.19 Favored Glycine 0 N--CA 1.476 1.33 0 C-N-CA 125.49 1.519 . . . . 0.0 113.922 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.44 142.94 39.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.052 1.341 . . . . 0.0 113.075 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.55 159.67 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.773 1.629 . . . . 0.0 110.623 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -80.41 139.95 36.25 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.015 -1.053 . . . . 0.0 111.746 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.9 98.63 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.856 -1.152 . . . . 0.0 112.918 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.13 71.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 0.0 113.096 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.98 -44.57 30.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.399 1.48 . . . . 0.0 111.203 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.79 -39.45 94.28 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.056 0.844 . . . . 0.0 111.991 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -55.23 -54.34 44.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.862 0.865 . . . . 0.0 111.091 166.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -66.63 -42.41 86.81 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.2 -23.2 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.519 -1.363 . . . . 0.0 112.53 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.51 -20.61 50.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.84 1.256 . . . . 0.0 114.359 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 77.4 p -108.83 -12.66 14.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.9 1.28 . . . . 0.0 113.636 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -103.99 -42.67 5.5 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.16 152.76 18.5 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.491 1.116 . . . . 0.0 112.333 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.9 -152.74 50.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.309 1.433 . . . . 0.0 114.154 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.86 140.06 55.19 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 160.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -91.83 140.34 29.78 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 tp -87.8 155.32 19.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.564 1.546 . . . . 0.0 110.609 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -83.78 162.52 20.6 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.94 -39.64 78.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.266 1.426 . . . . 0.0 111.98 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.89 -42.7 94.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.0 1.72 . . . . 0.0 110.915 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.68 -43.64 65.65 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.123 0.969 . . . . 0.0 112.135 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.74 -32.36 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.343 1.428 . . . . 0.0 111.983 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.45 -39.47 92.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.07 0.85 . . . . 0.0 112.054 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -64.21 -48.11 77.11 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.486 0.585 . . . . 0.0 111.279 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttm -56.65 -50.79 71.03 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.413 1.085 . . . . 0.0 112.114 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.13 -40.42 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.399 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -65.17 -37.23 86.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.21 -20.57 60.84 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.85 -43.7 12.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.928 0.891 . . . . 0.0 112.614 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 125.493 1.517 . . . . 0.0 114.121 -172.544 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.14 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -89.04 146.39 24.88 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.663 1.185 . . . . 0.0 110.542 165.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.0 t -88.36 124.24 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.978 1.711 . . . . 0.0 109.507 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.44 73.53 7.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.992 1.317 . . . . 0.0 110.383 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -63.07 -23.96 67.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.59 -39.25 79.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.688 0.795 . . . . 0.0 112.343 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -80.12 -34.97 37.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.232 1.013 . . . . 0.0 111.698 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -62.21 -28.58 69.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.982 1.313 . . . . 0.0 113.241 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.06 -39.56 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.544 1.138 . . . . 0.0 112.522 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.42 -25.92 65.27 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.143 0.883 . . . . 0.0 111.887 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.1 mtt -70.46 -19.88 62.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.31 1.044 . . . . 0.0 112.73 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 18.0 mmt -78.12 -42.05 33.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.043 1.337 . . . . 0.0 112.282 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 124.955 1.302 . . . . 0.0 111.587 177.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.89 -45.25 78.61 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.516 -0.74 . . . . 0.0 111.663 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.0 m -71.08 -31.43 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 69.8 m -63.17 -43.7 97.53 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.345 -0.847 . . . . 0.0 111.495 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.77 68.84 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.386 -0.821 . . . . 0.0 112.669 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.0 mtm -79.34 -16.72 55.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 55.7 t -81.61 -43.72 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.758 1.163 . . . . 0.0 110.939 172.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.49 -35.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.542 0.61 . . . . 0.0 111.767 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.4 -34.7 76.5 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -65.95 -39.97 90.91 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.512 1.051 . . . . 0.0 111.186 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.92 96.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.242 1.417 . . . . 0.0 111.422 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -72.46 -35.77 68.32 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.475 -0.766 . . . . 0.0 112.763 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.54 -21.22 61.93 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.217 -0.927 . . . . 0.0 112.402 172.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -73.84 -39.69 63.83 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.368 1.067 . . . . 0.0 111.755 164.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 71.3 t60 -58.4 -51.47 69.68 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.224 0.92 . . . . 0.0 112.748 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 124.983 1.313 . . . . 0.0 114.43 -172.105 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.5 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -93.25 160.06 15.0 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.879 1.672 . . . . 0.0 111.515 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.612 0.765 . . . . 0.0 112.987 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.9 -24.67 61.68 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -81.17 -44.27 18.1 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.83 0.852 . . . . 0.0 110.31 170.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.73 -37.39 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.914 1.286 . . . . 0.0 111.952 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.77 67.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.441 1.096 . . . . 0.0 113.723 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.98 -39.85 12.71 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.81 0.844 . . . . 0.0 111.691 173.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.33 -30.53 71.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.405 0.682 . . . . 0.0 112.76 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.16 -44.3 71.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.592 1.157 . . . . 0.0 112.555 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -38.3 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.278 0.631 . . . . 0.0 111.935 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.67 -47.65 45.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.151 0.432 . . . . 0.0 111.817 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -58.54 -42.04 86.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.808 0.843 . . . . 0.0 112.354 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 m -66.32 -18.55 65.42 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -29.66 38.71 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.084 1.311 . . . . 0.0 111.808 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -88.06 -11.77 46.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.946 1.299 . . . . 0.0 113.005 175.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.81 63.3 2.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.035 1.734 . . . . 0.0 110.568 166.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -67.82 -25.66 65.68 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.903 1.281 . . . . 0.0 113.835 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.16 -16.81 36.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.79 1.236 . . . . 0.0 113.303 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.82 13.76 80.81 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.674 1.13 . . . . 0.0 114.403 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.15 -18.6 42.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 113.736 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.3 20.44 25.26 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.904 1.24 . . . . 0.0 113.921 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -133.26 151.85 51.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.407 1.483 . . . . 0.0 111.144 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.28 161.69 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.152 0.981 . . . . 0.0 110.462 166.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -79.25 153.53 29.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.551 0.741 . . . . 0.0 111.339 166.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -60.75 -35.59 76.78 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.475 1.11 . . . . 0.0 111.871 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.32 -35.76 80.09 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 113.078 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -85.83 -8.09 58.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.312 1.045 . . . . 0.0 113.137 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.23 -47.7 68.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.519 1.054 . . . . 0.0 110.998 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.8 -13.59 59.41 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.722 1.153 . . . . 0.0 114.414 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.6 m -92.7 -41.04 10.38 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.88 1.672 . . . . 0.0 110.596 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.91 -40.45 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 119.536 1.062 . . . . 0.0 110.377 170.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -53.54 -53.17 55.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 110.903 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.89 -26.3 63.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.063 0.945 . . . . 0.0 113.19 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.9 m -70.01 -19.4 63.32 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.244 -0.91 . . . . 0.0 112.997 170.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.93 -2.19 26.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.653 1.981 . . . . 0.0 113.324 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 5.89 66.74 Favored Glycine 0 N--CA 1.475 1.292 0 C-N-CA 125.295 1.426 . . . . 0.0 115.138 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -85.0 128.33 34.58 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.134 1.467 . . . . 0.0 109.446 172.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -119.65 73.16 16.37 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.057 0.943 . . . . 0.0 111.137 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.91 131.32 16.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.464 2.776 . . . . 0.0 111.443 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.77 156.56 13.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.537 1.135 . . . . 0.0 109.296 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.29 -34.11 63.84 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.87 74.42 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.263 1.025 . . . . 0.0 112.951 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.57 -37.17 82.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.137 1.375 . . . . 0.0 111.372 175.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.43 -48.77 71.62 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.251 1.02 . . . . 0.0 110.488 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -63.69 -36.76 84.9 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.477 0.581 . . . . 0.0 111.491 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.51 -34.58 75.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.975 0.91 . . . . 0.0 112.695 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.1 mtm -75.6 -42.41 51.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 111.373 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -56.63 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.529 0.604 . . . . 0.0 110.575 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -65.82 -17.52 64.69 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.72 -27.2 64.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.438 1.095 . . . . 0.0 113.446 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -112.44 -24.66 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.184 0.994 . . . . 0.0 113.354 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.91 23.72 3.55 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.312 1.845 . . . . 0.0 112.675 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.1 -24.05 66.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.75 1.22 . . . . 0.0 113.306 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.01 -15.76 56.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.588 1.555 . . . . 0.0 113.25 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.9 17.57 79.7 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.199 1.381 . . . . 0.0 113.375 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.36 -26.38 63.71 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.747 1.219 . . . . 0.0 113.89 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.76 0.51 87.68 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.483 1.516 . . . . 0.0 114.982 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.0 p -137.55 160.8 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.828 1.651 . . . . 0.0 112.299 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -132.2 132.66 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.738 2.015 . . . . 0.0 108.762 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.98 157.25 16.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.87 1.268 . . . . 0.0 110.854 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 28.3 t80 -56.95 -43.85 99.56 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.764 -172.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.2 -35.52 85.09 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.752 2.301 . . . . 0.0 113.421 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -70.96 -43.85 67.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.618 0.767 . . . . 0.0 110.926 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.08 -45.48 90.73 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.52 1.128 . . . . 0.0 112.365 172.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.42 -35.78 81.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.651 -0.656 . . . . 0.0 112.108 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -63.77 -44.04 94.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.844 0.747 . . . . 0.0 110.676 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.1 -48.33 80.5 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.561 0.618 . . . . 0.0 111.93 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.2 -40.11 96.56 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.796 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 124.836 1.254 . . . . 0.0 112.918 175.4 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.58 -33.31 68.96 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.275 0.943 . . . . 0.0 112.283 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -71.6 -42.35 67.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.427 1.091 . . . . 0.0 110.516 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.34 -43.4 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 110.703 171.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.21 -46.49 88.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.124 0.969 . . . . 0.0 112.148 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.35 -33.12 75.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.708 0.803 . . . . 0.0 112.878 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.19 80.84 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.354 -0.841 . . . . 0.0 112.514 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -69.45 -39.28 77.89 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.915 0.78 . . . . 0.0 112.305 171.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.73 -28.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.042 0.937 . . . . 0.0 112.723 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.87 -39.27 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.006 0.922 . . . . 0.0 112.121 168.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -83.68 -20.34 33.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 73.18 2.04 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.783 1.278 . . . . 0.0 111.237 168.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -64.85 -19.27 65.78 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.403 1.881 . . . . 0.0 115.441 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.46 -18.25 21.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.174 1.39 . . . . 0.0 113.429 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.71 22.68 68.95 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.332 0.968 . . . . 0.0 113.33 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.52 -21.64 48.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.956 1.302 . . . . 0.0 114.346 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.05 7.47 77.36 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.988 1.28 . . . . 0.0 114.047 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -140.71 157.04 46.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.114 1.766 . . . . 0.0 111.924 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -133.4 155.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.642 1.577 . . . . 0.0 109.874 174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.7 m -77.21 143.33 39.08 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.894 -1.129 . . . . 0.0 111.587 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.9 78.02 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.072 -1.017 . . . . 0.0 112.802 178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.74 73.04 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.549 0.74 . . . . 0.0 112.829 172.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -71.28 -44.86 64.41 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.369 1.068 . . . . 0.0 110.54 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.46 -33.62 75.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.079 0.952 . . . . 0.0 112.599 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.5 -51.54 65.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.382 0.673 . . . . 0.0 110.722 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -66.26 -45.19 81.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.874 0.87 . . . . 0.0 112.914 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.97 -17.22 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.248 -0.907 . . . . 0.0 112.691 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -95.63 -18.75 20.29 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.215 1.406 . . . . 0.0 114.264 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -108.47 -20.51 13.09 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.951 1.3 . . . . 0.0 113.183 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -94.88 -38.11 10.87 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.684 1.194 . . . . 0.0 113.072 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.23 154.81 27.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.149 1.38 . . . . 0.0 113.162 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.88 -144.08 33.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.835 1.207 . . . . 0.0 113.441 171.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.7 117.1 23.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.776 1.23 . . . . 0.0 108.433 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -65.04 126.65 28.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.323 -0.861 . . . . 0.0 112.639 -169.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.72 146.31 30.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.258 1.023 . . . . 0.0 110.382 170.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.1 p -71.26 168.13 17.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 122.493 1.139 . . . . 0.0 111.795 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.77 -31.88 62.98 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.573 -1.649 . . . . 0.0 112.244 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.82 -44.76 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.151 0.981 . . . . 0.0 111.874 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.27 -47.38 76.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.538 0.735 . . . . 0.0 111.721 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.91 -33.06 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.438 0.563 . . . . 0.0 111.856 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.94 -48.4 79.05 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.827 0.74 . . . . 0.0 110.708 170.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.29 -41.78 97.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.177 0.591 . . . . 0.0 112.096 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.4 ttm -59.52 -46.34 89.12 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.59 -0.693 . . . . 0.0 112.3 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.3 mm -72.68 -40.92 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.302 0.641 . . . . 0.0 110.955 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.4 ttm-85 -56.49 -35.9 68.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.832 1.253 . . . . 0.0 112.771 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -76.02 -11.69 59.99 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.96 -39.11 7.49 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.864 1.265 . . . . 0.0 113.275 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 126.249 1.819 . . . . 0.0 114.66 -171.102 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.624 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.55 119.34 25.08 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.578 1.189 . . . . 0.0 109.884 162.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -86.87 123.57 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 125.815 1.646 . . . . 0.0 109.245 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -78.79 89.74 4.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.94 0.876 . . . . 0.0 109.124 165.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -66.52 -28.29 68.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.05 -41.2 95.39 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.731 0.813 . . . . 0.0 112.009 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -38.98 75.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.722 0.409 . . . . 0.0 111.905 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.13 -35.89 76.28 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.609 -0.71 . . . . 0.0 112.784 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.33 -61.55 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.803 0.841 . . . . 0.0 110.312 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.41 -31.21 71.83 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.9 mtm -62.27 -32.17 72.85 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.012 0.824 . . . . 0.0 113.148 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -93.34 -32.41 14.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.477 0.879 0 CA-C-N 119.991 1.268 . . . . 0.0 114.137 -173.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.01 -43.98 81.51 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.338 -0.852 . . . . 0.0 111.881 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.7 m -71.33 -32.43 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.916 -0.49 . . . . 0.0 112.275 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 74.3 m -64.98 -46.84 79.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.179 0.9 . . . . 0.0 111.725 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.55 -44.91 69.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.586 0.754 . . . . 0.0 111.854 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.29 -28.13 67.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 74.6 t -75.18 -39.41 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.181 1.355 . . . . 0.0 111.24 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.88 -41.83 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.534 -0.729 . . . . 0.0 110.593 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -66.34 -36.41 82.85 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.5 1.12 . . . . 0.0 111.58 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -62.38 -43.02 99.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.244 1.017 . . . . 0.0 111.771 172.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.61 86.6 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.948 0.899 . . . . 0.0 112.545 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -67.45 -44.68 78.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.839 0.456 . . . . 0.0 111.65 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -70.02 -26.54 64.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -62.89 -55.21 28.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.478 0.711 . . . . 0.0 110.495 163.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.7 t60 -58.17 -44.06 87.76 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.869 1.268 . . . . 0.0 114.341 -174.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -176.526 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -87.11 157.82 19.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.579 1.552 . . . . 0.0 111.814 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.49 -37.92 76.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.49 0.716 . . . . 0.0 112.463 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -24.09 63.82 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -84.38 -42.46 15.68 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.908 0.776 . . . . 0.0 110.777 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -56.76 -40.02 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.692 1.197 . . . . 0.0 111.66 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.68 70.96 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.587 1.155 . . . . 0.0 113.654 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.63 -40.15 19.37 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.959 0.904 . . . . 0.0 111.331 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -65.87 -33.64 76.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.318 0.647 . . . . 0.0 112.306 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.84 -44.08 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.044 0.938 . . . . 0.0 112.571 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.98 -31.74 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.936 1.294 . . . . 0.0 112.471 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.4 -39.51 24.86 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.487 -0.758 . . . . 0.0 112.507 171.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -65.71 -38.17 88.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.345 1.058 . . . . 0.0 112.581 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -66.26 -20.88 66.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.88 -24.65 52.57 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.063 -1.023 . . . . 0.0 112.465 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -92.73 -11.34 34.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.347 1.459 . . . . 0.0 112.911 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.24 66.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.91 1.684 . . . . 0.0 111.498 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.29 -28.44 67.18 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.461 1.904 . . . . 0.0 113.309 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.15 -22.7 48.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.324 1.05 . . . . 0.0 113.118 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.22 89.51 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.489 1.519 . . . . 0.0 115.011 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.74 -9.3 56.21 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.157 1.383 . . . . 0.0 113.608 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 20.24 25.88 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.13 1.348 . . . . 0.0 113.458 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.2 p -120.54 150.84 40.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.756 1.622 . . . . 0.0 111.812 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.6 pt -122.93 163.24 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.923 1.289 . . . . 0.0 110.617 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -78.5 166.36 22.68 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.967 0.889 . . . . 0.0 112.118 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -64.75 -28.33 69.51 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.607 1.163 . . . . 0.0 112.329 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -77.78 -35.45 51.56 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -17.9 60.76 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.239 0.927 . . . . 0.0 112.862 174.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -49.58 73.96 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.13 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.46 -28.05 72.59 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.734 0.683 . . . . 0.0 113.253 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -73.58 -50.16 22.64 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.564 1.146 . . . . 0.0 110.495 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.7 -33.18 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 119.584 1.083 . . . . 0.0 112.214 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -55.84 -55.02 37.45 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.031 0.832 . . . . 0.0 111.128 169.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.95 -24.24 59.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.707 0.803 . . . . 0.0 112.97 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -69.68 -36.11 75.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.272 1.029 . . . . 0.0 111.94 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.97 -25.52 43.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 113.006 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.65 17.68 10.95 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.28 1.419 . . . . 0.0 115.195 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.029 1.415 . . . . 0.0 109.033 166.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -122.99 69.63 38.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.462 1.105 . . . . 0.0 111.466 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -71.62 159.56 50.72 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.841 2.361 . . . . 0.0 110.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -69.67 164.42 23.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.692 . . . . 0.0 110.398 165.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.46 -37.99 73.74 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.507 -0.746 . . . . 0.0 111.683 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.91 71.67 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.086 0.954 . . . . 0.0 112.764 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.19 -37.12 77.98 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.241 0.928 . . . . 0.0 111.932 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.07 -49.28 76.57 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 110.76 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -37.9 83.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.478 0.711 . . . . 0.0 111.706 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.02 -36.94 83.22 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -68.2 -38.05 81.56 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.249 0.931 . . . . 0.0 111.015 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -53.62 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.215 0.606 . . . . 0.0 110.164 172.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -57.16 -25.84 59.59 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.259 1.024 . . . . 0.0 113.614 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.57 -26.9 64.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.863 0.865 . . . . 0.0 112.449 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -114.06 -30.05 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.37 27.46 6.22 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.803 1.641 . . . . 0.0 112.651 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.17 -26.16 62.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.915 1.286 . . . . 0.0 113.547 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -82.79 -8.91 59.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.662 1.585 . . . . 0.0 113.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.55 54.6 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.666 1.127 . . . . 0.0 115.79 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.38 -24.92 59.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 1.29 . . . . 0.0 114.149 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.47 9.55 84.68 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.799 1.19 . . . . 0.0 114.225 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.5 p -141.25 158.64 43.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.243 1.817 . . . . 0.0 112.203 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.33 126.54 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 126.555 1.942 . . . . 0.0 108.528 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -87.38 155.34 20.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.443 1.497 . . . . 0.0 111.465 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 30.4 t80 -49.78 -48.54 77.07 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.47 -24.22 42.81 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.181 1.921 . . . . 0.0 113.65 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.74 -42.96 60.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.492 1.042 . . . . 0.0 110.621 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.05 -41.9 93.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.917 1.287 . . . . 0.0 111.843 170.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.15 -33.22 75.28 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.295 -0.878 . . . . 0.0 112.491 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 m -67.3 -46.51 73.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.259 1.024 . . . . 0.0 111.236 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.17 -35.46 80.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.358 0.981 . . . . 0.0 112.197 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.8 mmm -69.61 -41.78 75.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.02 0.928 . . . . 0.0 112.683 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.515 1.526 . . . . 0.0 111.288 173.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.65 -34.21 77.37 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 112.693 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.26 -40.59 70.88 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.231 0.923 . . . . 0.0 110.462 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.83 -43.37 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.627 0.771 . . . . 0.0 110.052 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -66.33 -42.47 88.13 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.88 -35.43 78.31 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.054 0.942 . . . . 0.0 111.756 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.21 91.31 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.824 0.738 . . . . 0.0 111.123 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -63.77 -38.26 90.44 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.733 -0.604 . . . . 0.0 112.439 170.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -69.77 -26.19 64.17 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.88 -34.71 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.194 0.998 . . . . 0.0 111.668 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -87.29 -15.94 36.59 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.65 124.47 22.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.067 0.947 . . . . 0.0 109.923 165.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -80.35 -8.22 59.41 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -134.21 -21.88 1.81 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.949 1.3 . . . . 0.0 113.856 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.17 22.64 51.44 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 124.867 1.222 . . . . 0.0 112.504 -168.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -73.13 -22.3 60.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.765 1.626 . . . . 0.0 114.539 -173.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.09 17.13 33.09 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.24 1.4 . . . . 0.0 113.254 -173.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -143.05 142.88 31.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.362 1.465 . . . . 0.0 112.857 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.11 156.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.22 1.408 . . . . 0.0 110.728 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -78.29 138.75 38.76 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.258 -0.901 . . . . 0.0 111.419 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.14 72.36 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.148 -0.97 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.99 82.12 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.178 -0.951 . . . . 0.0 112.722 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 -45.49 68.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.588 0.755 . . . . 0.0 110.496 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.82 -34.19 72.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.538 1.135 . . . . 0.0 112.568 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.15 -46.19 68.2 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.829 0.852 . . . . 0.0 111.19 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -71.06 -43.57 67.53 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.147 0.979 . . . . 0.0 113.308 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.18 -44.04 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 118.928 0.785 . . . . 0.0 111.588 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -67.95 -26.61 66.04 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.309 1.043 . . . . 0.0 113.663 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -95.66 -3.56 45.94 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.58 -19.92 0.84 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.26 152.52 24.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.054 1.297 . . . . 0.0 111.567 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.5 -145.57 49.98 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.806 0.717 . . . . 0.0 111.712 -172.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.62 135.22 36.52 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 161.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.13 129.86 40.55 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.097 -1.002 . . . . 0.0 112.716 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.93 149.05 32.45 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 110.991 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -74.92 153.53 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.467 1.107 . . . . 0.0 111.398 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.48 -42.89 79.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.59 1.156 . . . . 0.0 111.748 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.64 -11.99 61.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 113.463 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -96.49 -53.97 3.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.446 1.498 . . . . 0.0 110.275 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -65.79 -30.96 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.655 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.4 -29.42 67.16 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.991 -1.068 . . . . 0.0 112.191 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.34 -38.69 55.56 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.508 0.723 . . . . 0.0 111.438 170.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttm -55.14 -48.16 74.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.081 0.552 . . . . 0.0 110.781 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.35 -39.34 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.017 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -56.4 -41.56 76.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.669 1.122 . . . . 0.0 112.356 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -82.05 -19.7 39.78 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.18 -34.8 12.78 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.7 1.2 . . . . 0.0 114.011 -172.304 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 CA-C-O 119.802 -0.444 . . . . 0.0 114.191 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -100.49 136.96 39.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.966 1.306 . . . . 0.0 109.712 171.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.31 121.74 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 126.22 1.808 . . . . 0.0 109.181 -174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -77.78 78.15 4.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.351 1.06 . . . . 0.0 110.382 165.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -58.39 -21.27 49.78 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -56.58 -40.37 75.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.117 0.967 . . . . 0.0 111.833 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -75.24 -33.8 61.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.352 1.061 . . . . 0.0 111.153 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -64.78 -39.71 94.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 111.937 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.13 -45.22 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.332 0.653 . . . . 0.0 110.838 171.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -62.96 -40.98 99.32 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.343 0.52 . . . . 0.0 111.837 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.62 -35.37 79.37 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.314 -0.867 . . . . 0.0 112.483 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.0 mtm -71.05 -38.53 72.53 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.557 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.61 -41.96 78.8 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.8 -0.562 . . . . 0.0 111.975 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.8 m -83.81 -27.16 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.53 0.732 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 64.6 m -61.95 -41.01 97.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.09 -1.006 . . . . 0.0 111.425 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.78 70.68 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.8 -40.1 76.18 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.805 0.842 . . . . 0.0 112.792 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 77.3 t -70.11 -36.12 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.955 0.798 . . . . 0.0 111.487 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -50.96 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.504 0.593 . . . . 0.0 111.576 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.66 -27.27 63.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.55 -43.06 97.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.047 0.839 . . . . 0.0 111.485 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.34 75.07 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.543 0.737 . . . . 0.0 111.541 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.97 -44.42 92.79 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.65 -39.68 88.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.641 0.776 . . . . 0.0 112.402 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.88 -34.64 78.88 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.558 0.617 . . . . 0.0 112.24 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.41 -47.85 66.19 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 112.72 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 N--CA 1.47 0.572 0 CA-C-N 119.197 0.908 . . . . 0.0 113.053 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -104.43 159.17 15.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.46 -32.23 73.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.332 0.653 . . . . 0.0 112.735 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.18 -27.03 64.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 112.747 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.74 -44.17 34.24 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.582 -0.698 . . . . 0.0 109.885 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.48 -43.76 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.101 0.961 . . . . 0.0 111.023 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -76.7 -48.01 20.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.034 1.334 . . . . 0.0 110.958 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -66.47 -26.08 67.02 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.56 -39.56 84.43 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.609 0.764 . . . . 0.0 112.298 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.75 -34.39 73.75 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.29 -43.03 61.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.455 0.571 . . . . 0.0 112.321 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.92 -40.56 95.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.417 1.087 . . . . 0.0 111.768 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 m -70.12 -15.65 63.0 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -29.13 62.45 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.667 1.121 . . . . 0.0 112.355 172.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -87.84 -13.42 42.18 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.501 1.521 . . . . 0.0 113.196 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -76.38 76.79 3.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.926 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -73.44 -23.35 60.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.153 1.381 . . . . 0.0 113.508 -176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.4 -19.56 27.92 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.011 1.325 . . . . 0.0 113.707 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.91 11.65 81.08 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.939 1.257 . . . . 0.0 114.536 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.13 -4.67 51.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.571 1.548 . . . . 0.0 113.665 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.63 21.71 46.37 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.901 1.239 . . . . 0.0 114.092 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -126.45 159.33 33.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.431 1.492 . . . . 0.0 111.43 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.13 160.22 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.708 1.203 . . . . 0.0 110.649 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -70.92 149.14 47.02 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 166.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.7 p -56.26 -31.86 63.98 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.983 0.913 . . . . 0.0 112.189 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.75 -23.43 66.09 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.725 1.21 . . . . 0.0 114.166 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.86 -10.05 55.99 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.004 0.922 . . . . 0.0 113.015 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.73 -48.33 82.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.69 1.132 . . . . 0.0 111.131 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.8 -26.6 67.21 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-O 119.404 -0.665 . . . . 0.0 112.255 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -75.56 -48.75 21.04 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.945 1.298 . . . . 0.0 111.15 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.27 -34.76 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-N 120.15 1.341 . . . . 0.0 111.464 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.9 mtp -64.58 -40.3 95.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.579 0.627 . . . . 0.0 111.729 173.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -66.49 -39.83 88.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.311 1.045 . . . . 0.0 112.59 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -64.66 -26.23 68.3 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.114 -0.991 . . . . 0.0 113.22 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -89.0 11.03 19.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.732 1.613 . . . . 0.0 113.495 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.17 9.91 86.61 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.648 1.118 . . . . 0.0 115.219 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -88.77 148.24 24.04 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.327 1.063 . . . . 0.0 109.915 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -131.09 66.18 78.37 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.839 0.856 . . . . 0.0 112.573 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.26 151.52 71.92 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.816 2.344 . . . . 0.0 110.807 170.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 p -72.76 168.84 17.96 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.826 0.851 . . . . 0.0 110.55 166.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.87 -35.27 72.71 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.915 -0.49 . . . . 0.0 111.293 170.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.57 66.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.156 0.982 . . . . 0.0 112.246 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -60.41 -42.32 95.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.609 0.764 . . . . 0.0 111.567 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.61 -47.24 73.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.866 0.867 . . . . 0.0 111.451 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.93 -35.68 80.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.46 0.573 . . . . 0.0 112.247 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -64.56 -34.92 79.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.291 1.036 . . . . 0.0 113.172 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.2 mtm -77.59 -36.85 51.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.428 0.558 . . . . 0.0 111.313 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.99 -61.02 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.233 1.013 . . . . 0.0 110.887 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.28 -19.11 65.19 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.59 1.086 . . . . 0.0 113.686 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -68.47 -36.83 79.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.597 1.159 . . . . 0.0 112.557 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.1 -30.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.498 0.719 . . . . 0.0 112.644 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -90.51 32.99 0.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.601 1.561 . . . . 0.0 112.39 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.67 67.51 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.805 1.242 . . . . 0.0 113.475 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -82.86 -11.2 58.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.763 1.225 . . . . 0.0 113.698 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.68 78.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.909 1.242 . . . . 0.0 115.323 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -71.39 -20.49 62.13 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.931 1.366 . . . . 0.0 114.25 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.97 15.46 72.52 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.115 1.341 . . . . 0.0 113.765 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 p -134.85 159.38 41.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 112.746 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 mt -131.67 132.6 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.44 1.896 . . . . 0.0 108.948 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.06 153.85 18.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.426 1.49 . . . . 0.0 111.205 174.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.41 -44.19 98.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -171.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.07 -32.31 91.67 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.044 2.496 . . . . 0.0 114.273 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.06 -41.43 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.12 0.968 . . . . 0.0 110.745 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -62.7 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.336 1.055 . . . . 0.0 112.054 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.81 -27.88 68.58 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.184 -0.947 . . . . 0.0 112.999 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -37.67 88.38 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.993 0.917 . . . . 0.0 110.902 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.8 mtt -60.71 -48.19 82.89 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.361 0.665 . . . . 0.0 110.985 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.72 -48.04 78.67 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.443 1.097 . . . . 0.0 111.925 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 124.247 1.019 . . . . 0.0 113.256 -178.338 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.56 -35.9 82.2 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.724 0.81 . . . . 0.0 112.158 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.14 -38.61 88.56 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.702 0.801 . . . . 0.0 111.033 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.19 -38.99 64.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.419 1.088 . . . . 0.0 110.604 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.76 -45.77 84.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.81 -25.23 64.57 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.737 0.699 . . . . 0.0 112.376 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.98 99.19 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.582 -0.699 . . . . 0.0 110.901 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -64.88 -36.77 85.42 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 170.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -65.23 -30.49 71.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.807 0.843 . . . . 0.0 113.197 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.61 -33.8 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-N 119.456 1.025 . . . . 0.0 111.774 170.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -97.79 2.49 49.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.448 1.499 . . . . 0.0 114.126 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -76.21 133.26 40.18 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.425 1.09 . . . . 0.0 110.479 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -16.77 64.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -145.23 -19.67 0.49 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.531 1.532 . . . . 0.0 114.026 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.43 23.6 36.41 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.767 1.175 . . . . 0.0 112.063 -166.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.57 -19.82 57.48 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.237 1.415 . . . . 0.0 114.402 -170.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.27 16.88 31.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.855 1.693 . . . . 0.0 113.714 -174.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -145.36 141.37 28.43 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.463 1.505 . . . . 0.0 112.133 -172.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 pt -132.84 153.67 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.266 1.426 . . . . 0.0 110.745 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -78.22 136.21 37.75 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.004 -1.06 . . . . 0.0 111.173 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.93 74.53 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.2 -0.937 . . . . 0.0 113.218 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.6 83.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.16 0.984 . . . . 0.0 112.702 173.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -68.18 -44.28 76.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.812 0.845 . . . . 0.0 110.122 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.31 -51.95 66.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.411 1.084 . . . . 0.0 110.511 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -54.94 -44.96 74.77 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.371 1.068 . . . . 0.0 111.896 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.73 -43.22 84.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.945 0.898 . . . . 0.0 113.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.0 -43.71 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.978 . . . . 0.0 110.433 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.0 mmt -74.16 -16.94 60.98 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.6 p -108.4 -16.59 14.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.933 1.293 . . . . 0.0 113.531 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.07 -49.35 3.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.422 1.089 . . . . 0.0 112.961 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.44 143.07 27.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.163 1.385 . . . . 0.0 112.407 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.98 -157.52 52.32 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 125.028 1.299 . . . . 0.0 113.526 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.19 147.93 50.6 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.309 -0.524 . . . . 0.0 109.93 161.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -94.2 149.77 20.93 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -163.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.97 134.06 36.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.461 1.504 . . . . 0.0 109.435 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -70.52 155.95 40.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.824 1.249 . . . . 0.0 110.468 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.11 -41.65 65.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.711 1.204 . . . . 0.0 112.961 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.41 -14.13 60.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.655 1.182 . . . . 0.0 113.147 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -94.94 -51.7 4.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.547 1.539 . . . . 0.0 110.717 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.05 -32.54 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.392 -0.817 . . . . 0.0 112.579 -173.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.12 -47.1 72.16 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.819 0.736 . . . . 0.0 110.682 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.78 -37.14 80.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.129 0.972 . . . . 0.0 112.49 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.4 ttm -57.48 -29.43 64.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.895 0.878 . . . . 0.0 112.46 172.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.59 -39.68 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.482 0.713 . . . . 0.0 111.606 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -59.15 -31.46 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.176 1.353 . . . . 0.0 112.626 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -83.68 -6.79 59.53 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.183 0.993 . . . . 0.0 113.625 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.93 -35.07 7.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.887 1.675 . . . . 0.0 113.303 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.522 1.929 . . . . 0.0 113.812 -175.824 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 CA-C-O 118.371 -1.239 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -90.28 126.52 35.87 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.698 1.749 . . . . 0.0 110.644 170.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.94 123.24 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.946 1.698 . . . . 0.0 108.734 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -78.03 85.03 4.26 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 164.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -64.93 -23.13 67.13 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -170.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.42 -35.35 75.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.557 1.143 . . . . 0.0 112.314 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.17 -40.3 24.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.45 0.7 . . . . 0.0 111.028 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.7 -41.51 86.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.85 0.75 . . . . 0.0 112.874 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.94 -51.77 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.307 0.643 . . . . 0.0 110.79 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -71.78 -28.29 63.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.6 -34.29 76.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -91.96 -25.57 18.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.482 1.156 0 CA-C-N 120.449 1.477 . . . . 0.0 112.46 172.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.42 -27.49 34.7 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.998 -1.064 . . . . 0.0 113.361 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 20.4 m -92.74 -34.01 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.056 0.844 . . . . 0.0 111.941 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 13.9 p -63.27 -38.3 90.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.56 -0.712 . . . . 0.0 111.681 171.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.52 67.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.806 171.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -79.78 -29.72 40.45 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 56.7 t -65.38 -39.36 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.296 0.953 . . . . 0.0 110.973 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.01 -41.4 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 121.814 -0.553 . . . . 0.0 110.89 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.99 -37.49 86.07 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.493 0.717 . . . . 0.0 111.878 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.5 -46.54 83.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.202 1.001 . . . . 0.0 112.178 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.53 77.56 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.021 . . . . 0.0 111.865 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.48 -39.22 88.65 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.457 0.703 . . . . 0.0 112.752 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.7 -35.57 75.19 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.267 -0.896 . . . . 0.0 112.441 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.21 -33.52 75.95 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.282 0.947 . . . . 0.0 111.964 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.07 -49.59 67.07 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.34 0.973 . . . . 0.0 112.249 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.46 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.763 0.316 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -133.17 165.49 24.65 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.491 1.916 . . . . 0.0 110.3 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.44 -38.82 69.53 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.193 0.997 . . . . 0.0 112.718 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.18 -22.85 61.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.427 1.091 . . . . 0.0 113.472 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -81.52 -45.23 16.23 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.506 -0.746 . . . . 0.0 110.068 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.88 -38.81 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.226 1.411 . . . . 0.0 111.389 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.96 68.54 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 113.599 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.94 -42.2 11.33 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.963 0.905 . . . . 0.0 111.623 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.92 -29.39 70.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -61.06 -32.74 72.37 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 173.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.66 -23.65 58.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.781 0.833 . . . . 0.0 112.934 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.83 -36.2 21.77 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.47 0.577 . . . . 0.0 111.633 169.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -69.19 -38.07 78.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.73 0.812 . . . . 0.0 112.38 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -63.91 -24.93 67.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -20.5 53.21 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -96.37 -21.5 17.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.016 1.326 . . . . 0.0 111.961 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.33 59.81 1.07 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.458 1.903 . . . . 0.0 111.248 167.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.37 -21.44 62.87 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.447 1.099 . . . . 0.0 113.48 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.67 -21.91 47.55 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.13 1.372 . . . . 0.0 112.832 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 5.35 89.7 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.801 1.667 . . . . 0.0 115.369 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -84.92 -10.74 56.78 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.988 1.315 . . . . 0.0 113.744 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 23.18 17.84 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.117 1.341 . . . . 0.0 113.499 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -129.12 149.97 50.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.731 1.612 . . . . 0.0 112.144 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 pt -117.13 160.31 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.726 1.211 . . . . 0.0 110.541 165.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 152.39 41.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -56.56 -30.71 63.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.227 1.011 . . . . 0.0 111.949 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.72 -34.81 77.6 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 113.305 173.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 -18.72 47.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.536 1.134 . . . . 0.0 112.562 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.75 -43.11 80.42 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.196 -0.94 . . . . 0.0 111.438 170.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.66 -15.3 57.35 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 118.779 -1.012 . . . . 0.0 113.675 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -95.94 -38.84 10.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.299 1.44 . . . . 0.0 111.605 172.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.45 -32.04 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 120.6 1.545 . . . . 0.0 112.074 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mmm -63.34 -39.03 93.41 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.527 0.603 . . . . 0.0 111.53 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -66.98 -40.42 87.42 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.642 0.777 . . . . 0.0 112.549 172.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -65.26 -27.77 68.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.203 1.001 . . . . 0.0 112.809 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.7 mt -89.1 2.52 53.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.552 1.541 . . . . 0.0 112.801 173.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.43 75.25 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 115.446 171.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.72 159.67 17.69 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.937 1.368 . . . . 0.0 111.766 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -134.76 69.94 71.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.119 1.368 . . . . 0.0 111.836 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.46 141.19 38.02 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.088 1.859 . . . . 0.0 109.538 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m -75.48 161.96 28.74 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 165.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -32.01 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.25 74.62 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.076 -1.015 . . . . 0.0 113.486 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.95 -38.27 79.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.243 0.929 . . . . 0.0 111.098 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 tp -64.92 -45.34 86.26 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.953 0.901 . . . . 0.0 110.782 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.27 -41.01 96.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.335 0.654 . . . . 0.0 111.67 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.25 -41.33 98.34 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 ptp -71.32 -32.87 69.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.894 0.77 . . . . 0.0 111.85 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.46 -53.89 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.226 1.01 . . . . 0.0 110.287 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -52.43 -32.92 41.62 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.546 1.066 . . . . 0.0 112.988 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.16 -18.02 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.322 1.049 . . . . 0.0 113.564 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.68 -27.47 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -96.54 24.58 5.79 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.911 1.684 . . . . 0.0 112.523 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.86 65.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.339 1.455 . . . . 0.0 113.892 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -82.72 -9.35 59.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.816 1.646 . . . . 0.0 113.184 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.97 26.99 47.31 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.174 1.368 . . . . 0.0 114.789 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -72.82 -30.07 63.75 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.467 1.134 . . . . 0.0 113.651 -174.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.71 6.4 89.4 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.181 1.372 . . . . 0.0 113.78 -174.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -140.08 158.17 44.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.43 1.892 . . . . 0.0 111.234 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.79 124.01 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.763 1.625 . . . . 0.0 108.663 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.29 153.23 36.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.902 1.281 . . . . 0.0 111.574 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -49.23 -49.71 68.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.582 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.34 -28.33 63.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.058 1.839 . . . . 0.0 114.098 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.45 -40.99 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.676 1.125 . . . . 0.0 111.007 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -58.49 -44.09 89.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.897 0.879 . . . . 0.0 111.451 170.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.27 -34.06 77.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.337 -0.852 . . . . 0.0 112.288 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -45.35 82.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.434 1.094 . . . . 0.0 111.663 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ptp -62.92 -29.99 71.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.933 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 71.2 mtp -73.77 -48.77 29.24 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.109 0.563 . . . . 0.0 111.046 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 124.492 1.117 . . . . 0.0 113.884 -177.731 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.74 -33.74 76.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.911 0.884 . . . . 0.0 112.158 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.79 -41.34 78.88 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 111.012 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.57 -40.06 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.502 0.721 . . . . 0.0 110.427 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -62.36 -40.16 95.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.097 0.959 . . . . 0.0 112.405 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.52 -35.82 80.6 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.815 0.734 . . . . 0.0 111.988 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.88 89.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.196 0.598 . . . . 0.0 112.149 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.39 -34.61 74.78 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -60.8 -34.99 75.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.8 -19.93 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -85.61 -11.85 52.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 113.005 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -83.94 123.71 30.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.181 0.992 . . . . 0.0 109.71 170.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -71.1 -16.2 62.55 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.5 -19.93 3.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.441 1.496 . . . . 0.0 114.004 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.59 24.27 47.1 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.653 1.12 . . . . 0.0 112.746 -168.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.01 -24.74 60.78 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.46 1.504 . . . . 0.0 114.372 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.45 44.32 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.61 1.576 . . . . 0.0 113.651 -174.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.06 142.05 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.931 1.293 . . . . 0.0 113.847 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.47 160.03 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.517 1.927 . . . . 0.0 110.292 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -73.66 147.12 44.0 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.766 -1.209 . . . . 0.0 111.893 173.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.79 81.48 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.889 -1.132 . . . . 0.0 112.427 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.25 66.09 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.282 -0.886 . . . . 0.0 111.48 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.97 -46.03 90.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.947 1.299 . . . . 0.0 111.153 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.3 -46.22 90.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.775 0.83 . . . . 0.0 111.346 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -60.44 -39.62 88.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.119 0.568 . . . . 0.0 112.026 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.5 -52.66 20.33 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.571 0.748 . . . . 0.0 112.248 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.78 -27.29 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.249 0.931 . . . . 0.0 112.739 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.2 mmt -77.95 -27.24 49.24 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.1 p -91.83 -33.79 14.81 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.309 0.959 . . . . 0.0 112.255 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -82.28 -49.22 10.3 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.07 142.43 32.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.719 0.807 . . . . 0.0 112.254 -172.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.02 -146.28 39.44 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.867 1.223 . . . . 0.0 112.445 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.39 155.27 32.99 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.255 0.55 . . . . 0.0 110.449 163.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.77 126.58 33.54 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.674 -1.266 . . . . 0.0 112.521 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.37 142.04 33.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.788 1.235 . . . . 0.0 108.635 163.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.1 p -82.3 163.98 21.43 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.835 0.826 . . . . 0.0 112.912 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.8 -42.46 93.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.648 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.74 -20.39 63.51 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -86.68 -54.21 4.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.895 1.278 . . . . 0.0 110.125 172.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.94 -33.48 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.333 -0.854 . . . . 0.0 112.305 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.42 -30.98 70.0 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.715 1.143 . . . . 0.0 111.993 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.18 -41.59 73.53 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.45 0.7 . . . . 0.0 110.737 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.5 ttm -58.42 -48.53 80.37 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.708 0.803 . . . . 0.0 111.2 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.88 -39.85 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.594 0.757 . . . . 0.0 111.386 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -60.38 -45.44 93.52 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.296 0.953 . . . . 0.0 111.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -77.21 -21.62 53.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.76 44.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.818 0.847 . . . . 0.0 112.298 171.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 125.099 1.359 . . . . 0.0 113.551 -174.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -81.23 137.56 35.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.644 0.778 . . . . 0.0 109.114 155.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -88.18 123.9 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.924 1.69 . . . . 0.0 109.478 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -77.86 90.36 4.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 164.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -66.07 -26.89 67.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.07 -42.96 93.68 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.322 1.049 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -75.51 -29.52 59.52 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.225 1.01 . . . . 0.0 112.56 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.75 -39.6 91.23 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.185 -0.947 . . . . 0.0 112.94 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.44 -38.38 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.464 -0.773 . . . . 0.0 111.456 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -67.25 -21.37 65.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.0 mtm -84.57 -39.14 19.1 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.268 1.027 . . . . 0.0 112.192 168.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.4 ttm -63.73 -35.31 80.15 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 113.246 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.29 -35.07 75.63 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.72 0.808 . . . . 0.0 112.785 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.2 m -93.26 -29.03 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.821 0.849 . . . . 0.0 112.147 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 70.7 m -59.36 -39.93 84.85 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.083 -1.011 . . . . 0.0 111.606 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.51 78.54 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.084 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.0 mtm -65.83 -30.35 70.96 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.3 t -63.73 -45.36 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.195 0.907 . . . . 0.0 110.732 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.13 -41.43 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.759 -0.588 . . . . 0.0 111.09 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.65 -46.16 77.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 111.582 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -60.09 -47.62 85.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.082 0.953 . . . . 0.0 111.697 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.94 94.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.994 0.518 . . . . 0.0 111.723 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.55 -43.66 93.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.527 0.731 . . . . 0.0 112.424 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.36 -41.93 98.86 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.433 -0.792 . . . . 0.0 112.024 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.179 0.992 . . . . 0.0 112.365 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.94 -45.79 92.17 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.127 0.971 . . . . 0.0 113.143 170.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 124.823 1.249 . . . . 0.0 113.322 179.376 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 p -82.54 163.43 21.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.822 1.249 . . . . 0.0 111.433 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.96 -34.33 73.13 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -25.71 50.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.07 -48.21 53.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.933 0.788 . . . . 0.0 110.137 167.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -55.97 -44.59 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.528 1.131 . . . . 0.0 110.933 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.46 71.34 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.72 -44.38 20.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.609 1.164 . . . . 0.0 111.192 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.08 -28.76 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.146 -0.971 . . . . 0.0 112.659 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.97 -38.68 76.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.314 1.045 . . . . 0.0 112.781 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -65.38 -40.49 93.56 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.578 0.751 . . . . 0.0 111.883 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.81 -43.11 63.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.341 0.656 . . . . 0.0 112.229 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.58 -39.57 93.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.245 1.018 . . . . 0.0 112.106 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -66.24 -22.05 66.31 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -27.92 64.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.534 1.061 . . . . 0.0 111.813 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -95.45 -5.06 43.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.148 1.779 . . . . 0.0 113.436 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.8 68.09 3.8 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.197 1.799 . . . . 0.0 110.971 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -65.51 -23.14 66.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.699 1.6 . . . . 0.0 114.978 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.69 -18.58 24.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.849 1.26 . . . . 0.0 113.282 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.02 90.38 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.267 1.413 . . . . 0.0 114.777 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -7.3 53.34 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.286 1.434 . . . . 0.0 113.683 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.18 28.08 9.54 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.986 1.279 . . . . 0.0 113.783 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 p -130.9 137.24 49.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.474 1.51 . . . . 0.0 111.477 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.64 159.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.012 0.925 . . . . 0.0 110.823 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -73.7 150.78 41.01 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -60.57 -37.95 83.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.174 0.99 . . . . 0.0 112.434 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.59 -25.92 67.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.34 -11.78 59.93 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.523 1.129 . . . . 0.0 112.836 175.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.38 -44.3 92.78 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 121.134 -0.979 . . . . 0.0 110.947 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -21.81 63.7 Favored Glycine 0 N--CA 1.471 1.02 0 C-N-CA 123.854 0.74 . . . . 0.0 113.0 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -83.36 -47.26 11.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.2 1.4 . . . . 0.0 111.313 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.62 -28.96 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.888 1.222 . . . . 0.0 111.884 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -53.42 -52.44 59.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.77 1.228 . . . . 0.0 110.851 166.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -72.41 -29.38 63.68 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.055 0.942 . . . . 0.0 113.346 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -63.44 -23.42 67.39 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.464 1.029 . . . . 0.0 113.12 167.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.91 15.89 27.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.885 1.674 . . . . 0.0 112.538 173.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.47 86.66 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.07 1.319 . . . . 0.0 115.734 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -89.74 130.92 35.93 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.907 1.283 . . . . 0.0 109.869 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -125.83 68.57 62.83 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.082 0.953 . . . . 0.0 112.231 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.67 152.51 42.63 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.604 2.87 . . . . 0.0 110.93 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -67.15 168.0 11.07 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 122.281 -0.262 . . . . 0.0 110.98 166.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.68 -36.49 72.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.497 -0.752 . . . . 0.0 111.613 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.46 67.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.194 0.997 . . . . 0.0 112.467 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.21 -34.38 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.081 0.855 . . . . 0.0 111.805 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -68.72 -47.73 65.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.695 0.798 . . . . 0.0 110.834 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.62 -36.57 78.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.751 0.82 . . . . 0.0 111.622 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.04 -34.51 77.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.137 0.975 . . . . 0.0 113.132 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.4 mtm -76.88 -41.16 44.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.54 -59.01 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.558 1.143 . . . . 0.0 110.892 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.95 -18.15 63.35 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.95 -45.52 67.26 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.31 1.044 . . . . 0.0 111.287 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.2 -33.19 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -107.62 56.07 0.64 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.41 1.484 . . . . 0.0 111.023 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.98 -22.95 66.5 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.265 1.026 . . . . 0.0 113.742 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.16 -15.35 44.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.325 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.38 41.1 9.42 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.471 1.034 . . . . 0.0 114.066 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -69.51 -26.72 64.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.669 1.188 . . . . 0.0 113.211 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 10.31 79.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.107 1.337 . . . . 0.0 113.217 -171.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -139.01 157.63 45.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.871 1.669 . . . . 0.0 112.314 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.52 134.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.081 1.752 . . . . 0.0 109.459 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.11 151.14 20.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.28 1.432 . . . . 0.0 111.513 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -52.89 -49.35 87.49 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.01 -25.42 51.75 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.084 1.856 . . . . 0.0 113.676 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -73.9 -42.96 59.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.633 1.106 . . . . 0.0 111.094 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.29 -42.5 91.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.614 1.166 . . . . 0.0 111.885 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.92 -34.31 77.83 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.78 -47.09 76.32 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.364 1.066 . . . . 0.0 111.5 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -63.81 -29.57 70.76 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.5 mmm -74.95 -41.31 59.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.099 0.96 . . . . 0.0 112.101 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 125.24 1.416 . . . . 0.0 112.484 178.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 N--CA 1.47 0.525 0 CA-C-O 119.048 -0.501 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -67.53 -35.62 79.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.719 0.691 . . . . 0.0 112.007 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.69 -43.68 65.53 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.221 1.008 . . . . 0.0 109.982 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.18 -43.81 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.325 1.05 . . . . 0.0 110.324 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -61.46 -46.25 90.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.978 0.911 . . . . 0.0 112.254 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -33.85 76.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.97 0.908 . . . . 0.0 112.604 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.394 -0.816 . . . . 0.0 111.876 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.22 -39.74 89.82 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 170.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.7 -35.98 81.47 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.802 0.841 . . . . 0.0 112.738 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.0 t -58.87 -30.65 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.004 0.922 . . . . 0.0 112.291 171.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.87 -11.47 39.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -71.44 136.41 47.65 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.618 1.167 . . . . 0.0 110.53 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -79.13 -11.41 59.98 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -147.86 -11.83 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.92 21.32 50.7 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.867 1.222 . . . . 0.0 112.469 -168.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -14.47 60.1 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -171.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.65 8.83 56.98 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.221 1.391 . . . . 0.0 114.708 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -136.83 146.23 45.38 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.4 158.65 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.797 2.039 . . . . 0.0 109.968 174.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -74.13 144.04 45.07 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.761 -1.212 . . . . 0.0 111.987 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.48 96.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 0.0 112.705 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.29 77.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.619 -0.675 . . . . 0.0 111.678 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.27 -40.88 81.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.917 0.887 . . . . 0.0 111.618 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.51 -48.65 80.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.987 0.915 . . . . 0.0 110.923 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -53.8 -46.7 71.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.327 0.651 . . . . 0.0 111.856 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.32 -48.59 64.49 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.359 -0.838 . . . . 0.0 113.007 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -20.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.928 -1.108 . . . . 0.0 112.459 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -12.1 51.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.658 1.583 . . . . 0.0 114.89 171.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.8 p -120.31 -13.7 8.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.401 1.455 . . . . 0.0 114.616 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.35 -5.73 23.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -132.08 161.12 34.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.773 2.029 . . . . 0.0 110.934 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.26 -144.37 49.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.436 1.017 . . . . 0.0 114.623 166.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.16 112.9 24.55 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.626 1.57 . . . . 0.0 109.957 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -69.6 156.77 38.41 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -168.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.27 166.96 23.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 110.942 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -80.22 163.14 24.25 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.012 1.325 . . . . 0.0 113.602 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.97 -35.45 64.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 113.843 -1.526 . . . . 0.0 111.796 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.14 -43.33 71.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.037 0.935 . . . . 0.0 111.569 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -68.61 -36.14 78.27 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.659 1.118 . . . . 0.0 112.298 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.6 m -70.44 -32.85 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 120.899 1.682 . . . . 0.0 112.628 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.83 -39.84 91.22 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.756 1.162 . . . . 0.0 111.399 174.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -60.6 -50.33 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.9 0.88 . . . . 0.0 111.095 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttm -57.82 -53.05 62.54 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.313 1.045 . . . . 0.0 111.844 -176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.85 -37.37 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.229 0.468 . . . . 0.0 111.634 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -62.16 -42.14 98.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.486 0.584 . . . . 0.0 111.805 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -79.94 -21.96 43.24 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 113.666 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.39 -51.37 6.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.589 1.156 . . . . 0.0 113.446 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 124.776 1.23 . . . . 0.0 111.973 -178.184 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.664 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.14 128.85 47.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.445 1.122 . . . . 0.0 109.719 171.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.37 121.98 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.748 1.619 . . . . 0.0 108.589 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.22 92.31 3.27 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 161.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -70.55 -24.36 62.78 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.432 -0.792 . . . . 0.0 112.523 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.41 -41.44 97.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.023 0.929 . . . . 0.0 111.894 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.35 -43.04 64.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.722 0.809 . . . . 0.0 111.82 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -61.43 -24.48 66.57 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.95 -38.81 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 118.921 0.782 . . . . 0.0 112.007 166.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -88.74 -23.17 22.99 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.415 0.686 . . . . 0.0 112.825 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.6 86.94 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.932 -1.105 . . . . 0.0 111.561 167.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.2 ptp -85.47 -5.44 59.29 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.79 1.177 . . . . 0.0 111.854 164.298 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.723 0.297 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.36 -45.59 75.88 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.254 1.022 . . . . 0.0 111.677 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.1 m -70.93 -29.48 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.483 0.583 . . . . 0.0 112.283 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -66.01 -48.73 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.304 0.956 . . . . 0.0 111.68 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.77 61.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.739 0.816 . . . . 0.0 112.333 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.02 -24.83 67.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.1 t -78.68 -33.8 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.472 1.033 . . . . 0.0 111.052 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 49.2 mt -75.02 -42.48 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.184 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -63.59 -41.28 98.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.787 0.835 . . . . 0.0 112.118 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 7.8 ptm85 -69.62 -36.51 76.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.436 1.016 . . . . 0.0 112.299 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -70.12 -37.19 75.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.768 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 46.9 t80 -72.38 -41.75 66.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.68 -0.637 . . . . 0.0 112.135 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -59.93 -43.4 94.96 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.94 0.791 . . . . 0.0 111.269 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -57.09 -48.98 77.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 111.072 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.44 -46.06 84.01 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.228 0.922 . . . . 0.0 113.14 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.475 0.813 0 CA-C-N 119.358 0.981 . . . . 0.0 112.283 177.113 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -88.18 158.32 18.56 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.788 1.235 . . . . 0.0 110.794 167.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.79 -31.88 72.12 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.636 -0.665 . . . . 0.0 112.325 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.54 -29.24 62.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.465 0.706 . . . . 0.0 112.817 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -73.95 -43.01 59.65 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.327 0.967 . . . . 0.0 111.012 170.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.4 mt -54.73 -39.51 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 0.0 111.135 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.04 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -79.61 -45.21 19.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.743 0.817 . . . . 0.0 111.289 175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.56 -28.41 67.77 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.528 -0.733 . . . . 0.0 112.746 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.96 -38.58 76.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.303 1.041 . . . . 0.0 112.482 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.74 -42.43 86.25 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.568 0.747 . . . . 0.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -43.62 73.24 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.405 -0.809 . . . . 0.0 112.204 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.68 -35.16 80.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.577 0.751 . . . . 0.0 112.62 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -62.73 -31.66 72.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.81 -25.53 62.91 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.856 -1.153 . . . . 0.0 112.466 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 -13.63 31.47 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.209 1.404 . . . . 0.0 113.204 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -75.61 77.43 2.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.537 1.535 . . . . 0.0 110.477 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -72.42 -17.15 61.82 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.473 1.509 . . . . 0.0 114.223 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.03 -20.87 19.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.055 1.342 . . . . 0.0 112.915 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.91 13.26 79.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.282 1.42 . . . . 0.0 114.536 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -98.18 -2.96 38.62 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.376 1.47 . . . . 0.0 113.809 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.04 19.15 52.06 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.527 1.061 . . . . 0.0 114.279 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.2 p -124.19 162.11 24.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.003 1.721 . . . . 0.0 111.766 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 pt -125.71 161.34 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.824 1.249 . . . . 0.0 110.848 164.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -69.21 147.78 50.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 p -57.86 -36.56 72.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.122 0.969 . . . . 0.0 112.757 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.7 -23.77 65.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.505 1.122 . . . . 0.0 113.437 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.78 -9.47 59.33 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.606 1.562 . . . . 0.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.79 -45.38 92.49 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 120.931 -1.105 . . . . 0.0 112.039 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.22 66.11 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.358 0.504 . . . . 0.0 112.398 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -75.04 -42.6 56.82 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.584 1.153 . . . . 0.0 111.489 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.62 -29.61 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.99 1.268 . . . . 0.0 111.916 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -57.56 -53.49 57.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.749 0.82 . . . . 0.0 110.838 166.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -60.1 -40.99 91.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.803 1.241 . . . . 0.0 112.323 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -62.97 -36.23 82.79 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.613 0.765 . . . . 0.0 113.031 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.46 -4.01 56.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.296 1.438 . . . . 0.0 113.726 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.69 14.21 80.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.602 1.096 . . . . 0.0 114.379 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.39 147.32 32.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.735 1.214 . . . . 0.0 110.37 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.96 64.29 14.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.073 0.949 . . . . 0.0 112.747 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.86 157.44 55.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.538 2.825 . . . . 0.0 110.792 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -68.48 149.19 49.57 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 0.0 109.606 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.31 -42.87 92.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.941 0.896 . . . . 0.0 112.602 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.09 73.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -71.72 -42.25 67.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.615 0.766 . . . . 0.0 110.88 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.22 -40.51 90.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.447 1.099 . . . . 0.0 111.439 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -62.68 -38.29 89.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.531 0.733 . . . . 0.0 111.466 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.02 -29.82 69.75 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.6 mtt -67.81 -41.39 83.16 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.183 0.901 . . . . 0.0 110.514 172.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.4 -48.18 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.773 0.829 . . . . 0.0 110.084 173.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -60.03 -34.4 73.33 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -67.32 -44.39 79.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.832 0.853 . . . . 0.0 111.607 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.86 -31.06 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -103.31 31.16 4.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.766 1.626 . . . . 0.0 112.512 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.02 -26.23 64.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.381 1.073 . . . . 0.0 113.821 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.55 -8.22 58.99 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.284 1.434 . . . . 0.0 113.52 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.54 54.64 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.697 1.141 . . . . 0.0 115.704 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.24 -26.07 63.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.638 1.219 . . . . 0.0 113.727 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 13.23 76.81 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.154 1.359 . . . . 0.0 113.359 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -138.41 155.84 48.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.576 1.551 . . . . 0.0 111.877 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.2 mt -120.16 128.14 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.02 1.728 . . . . 0.0 108.679 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -89.66 151.0 22.1 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.856 1.262 . . . . 0.0 111.138 173.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.76 -44.24 99.14 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.1 -35.63 97.69 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.792 2.328 . . . . 0.0 113.791 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.53 -37.06 65.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.252 1.021 . . . . 0.0 112.316 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -62.6 -40.45 96.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.904 0.881 . . . . 0.0 111.914 172.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.44 -29.79 71.02 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.4 m -65.44 -31.86 73.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 0.0 112.437 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.6 mtt -64.98 -35.07 80.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.46 0.573 . . . . 0.0 112.004 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.5 mmm -81.52 -37.68 27.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 112.149 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.684 0 C-N-CA 125.964 1.706 . . . . 0.0 114.294 -179.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.92 -35.79 75.64 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.385 1.074 . . . . 0.0 112.584 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -62.69 -34.83 77.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.412 0.685 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 mt -81.27 -39.32 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.2 -43.29 98.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.822 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.35 -35.63 81.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.084 0.856 . . . . 0.0 111.85 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.32 90.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 0.0 111.556 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.99 -37.33 67.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.799 -0.563 . . . . 0.0 112.38 170.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -63.86 -38.36 90.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.582 -0.723 . . . . 0.0 112.346 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.49 -20.42 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 119.795 1.179 . . . . 0.0 113.706 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -86.87 -8.79 56.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -86.19 108.14 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -82.03 -8.11 59.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 113.73 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.39 -26.95 6.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.909 1.284 . . . . 0.0 114.161 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.3 48.18 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.35 1.452 . . . . 0.0 113.326 -173.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.22 -18.17 60.18 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.25 1.42 . . . . 0.0 114.405 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.58 12.17 65.04 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.974 1.273 . . . . 0.0 113.439 -172.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.89 152.43 46.42 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.842 1.657 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.1 pt -131.11 153.96 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.055 1.742 . . . . 0.0 108.911 170.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.3 p -77.77 150.93 34.27 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.456 -1.403 . . . . 0.0 112.053 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.96 -32.51 72.96 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.143 -0.973 . . . . 0.0 111.964 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.29 82.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.306 1.043 . . . . 0.0 111.773 172.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.86 -49.17 77.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.699 0.8 . . . . 0.0 110.845 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -46.52 87.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.881 0.764 . . . . 0.0 112.222 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -60.28 -42.97 96.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.539 0.735 . . . . 0.0 111.021 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.6 -51.65 26.84 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.35 -31.51 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.488 1.04 . . . . 0.0 111.655 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.4 mmt -81.54 -18.41 45.08 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.1 p -95.57 -24.11 16.76 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.759 1.163 . . . . 0.0 112.264 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -85.49 -33.22 21.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.451 1.101 . . . . 0.0 113.522 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.36 162.57 21.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.614 1.566 . . . . 0.0 113.127 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.11 -134.06 13.81 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.357 1.456 . . . . 0.0 112.308 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.31 1.2 57.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.705 1.202 . . . . 0.0 113.246 174.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.6 mttt 59.05 58.45 3.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.283 1.433 . . . . 0.0 112.952 161.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.24 164.84 4.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.501 1.521 . . . . 0.0 114.475 -175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 m -62.84 153.95 31.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.189 1.796 . . . . 0.0 112.71 -168.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.93 -32.51 70.85 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.351 1.06 . . . . 0.0 112.516 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.9 -32.75 69.79 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.359 1.063 . . . . 0.0 112.694 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.59 -48.99 28.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.128 0.971 . . . . 0.0 110.205 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.52 -31.06 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.478 1.035 . . . . 0.0 112.909 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.49 -42.74 99.7 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 120.472 1.487 . . . . 0.0 111.295 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -65.3 -39.04 91.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.72 0.808 . . . . 0.0 112.016 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.9 ttm -60.66 -37.41 81.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.82 0.848 . . . . 0.0 112.046 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -75.03 -42.83 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.778 -0.576 . . . . 0.0 111.787 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -56.33 -40.39 74.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.54 1.136 . . . . 0.0 113.36 -171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.82 -14.98 61.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.21 -43.98 5.82 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.801 1.241 . . . . 0.0 112.884 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 125.492 1.517 . . . . 0.0 113.821 -172.029 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 CA-C-O 119.167 -0.796 . . . . 0.0 114.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -107.93 118.14 35.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.193 1.497 . . . . 0.0 109.015 169.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.69 114.61 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.498 1.119 . . . . 0.0 109.377 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.16 75.45 1.27 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.945 1.698 . . . . 0.0 109.859 165.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -58.71 -31.42 68.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -170.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.4 -42.62 99.02 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.355 0.662 . . . . 0.0 111.213 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.79 -32.88 60.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 111.808 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -61.37 -39.11 89.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.62 0.768 . . . . 0.0 112.289 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.54 -38.47 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 118.381 -0.818 . . . . 0.0 111.33 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -67.72 -29.35 68.58 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.251 0.932 . . . . 0.0 112.525 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.6 mtm -81.0 -34.17 33.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.311 1.044 . . . . 0.0 111.748 174.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.5 ttp -71.44 -44.19 65.29 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.542 1.137 . . . . 0.0 112.674 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 123.749 0.82 . . . . 0.0 111.619 173.238 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.86 -46.89 67.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.941 0.896 . . . . 0.0 111.632 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -69.51 -32.45 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.0 0.818 . . . . 0.0 111.962 175.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.9 m -62.4 -45.99 90.61 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.637 -0.665 . . . . 0.0 111.58 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.71 78.05 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.986 0.514 . . . . 0.0 111.317 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.17 -37.15 84.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 49.4 t -65.27 -42.19 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 119.358 0.981 . . . . 0.0 110.987 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 58.8 mt -70.77 -40.89 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.549 0.613 . . . . 0.0 111.319 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.61 -39.03 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.9 0.88 . . . . 0.0 111.637 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -60.11 -49.72 76.53 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.956 0.902 . . . . 0.0 111.433 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.41 99.12 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.671 0.789 . . . . 0.0 111.988 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.55 -42.94 73.93 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.46 0.704 . . . . 0.0 112.668 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.76 -39.71 94.99 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.285 -0.885 . . . . 0.0 112.163 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.31 -41.82 93.65 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.448 0.699 . . . . 0.0 112.17 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -56.88 -45.04 82.79 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.781 0.833 . . . . 0.0 112.26 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.472 0.643 0 CA-C-N 119.082 0.855 . . . . 0.0 112.901 174.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.4 mt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.328 0.585 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.17 165.94 20.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.344 2.258 . . . . 0.0 110.474 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.6 -37.94 59.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.853 1.261 . . . . 0.0 113.373 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -21.38 61.93 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -86.37 -43.52 12.79 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.406 -0.809 . . . . 0.0 110.425 169.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.2 mt -56.24 -36.46 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.427 1.491 . . . . 0.0 111.706 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.32 67.3 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.87 -43.04 15.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.816 1.246 . . . . 0.0 111.38 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.0 -30.18 70.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.798 0.839 . . . . 0.0 112.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.3 tppt? -54.72 -42.63 71.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.338 1.055 . . . . 0.0 112.635 169.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.69 -39.66 94.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.762 0.825 . . . . 0.0 112.06 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -44.49 55.7 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.838 -0.539 . . . . 0.0 111.978 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -40.5 93.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.62 0.768 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -64.57 -22.29 66.93 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -20.3 45.22 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 112.913 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.12 -13.03 23.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.535 1.534 . . . . 0.0 112.83 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.65 60.98 0.94 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.759 1.624 . . . . 0.0 110.704 164.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -71.08 -21.13 62.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.28 1.432 . . . . 0.0 113.519 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -82.16 -19.45 39.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.889 1.276 . . . . 0.0 112.978 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.39 7.73 87.21 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.395 1.474 . . . . 0.0 115.039 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -91.95 -12.85 32.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.226 1.41 . . . . 0.0 113.954 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.62 9.09 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.324 1.44 . . . . 0.0 114.522 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.24 148.51 52.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.283 1.433 . . . . 0.0 112.119 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 pt -110.12 165.21 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.991 1.317 . . . . 0.0 110.235 166.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -78.54 161.8 26.77 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.496 -0.753 . . . . 0.0 111.61 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -63.59 -27.36 69.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.2 166.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.15 -43.24 71.28 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.987 1.315 . . . . 0.0 112.193 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.62 -5.66 59.25 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 tp -50.22 -54.19 22.82 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.105 -0.997 . . . . 0.0 112.393 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.75 -27.24 68.03 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.973 -0.348 . . . . 0.0 112.336 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -71.34 -38.46 71.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.086 1.355 . . . . 0.0 111.289 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.39 -45.14 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.147 1.34 . . . . 0.0 110.395 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mtp -67.89 -38.0 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.433 0.693 . . . . 0.0 111.813 -176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -69.67 -34.01 73.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.015 0.926 . . . . 0.0 112.516 172.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.4 m -68.98 -24.4 64.23 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.92 -2.69 44.86 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.546 1.539 . . . . 0.0 113.114 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.93 4.06 75.74 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 125.068 1.318 . . . . 0.0 115.458 171.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -98.19 169.3 9.68 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.672 1.236 . . . . 0.0 111.066 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -143.47 83.0 11.1 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.849 0.86 . . . . 0.0 111.69 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.11 155.99 68.3 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.985 2.457 . . . . 0.0 110.324 168.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -71.72 164.96 24.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.369 0.668 . . . . 0.0 111.731 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.27 -36.51 71.1 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.758 0.823 . . . . 0.0 111.418 169.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.99 79.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.306 1.042 . . . . 0.0 112.176 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.77 -45.38 90.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.62 0.645 . . . . 0.0 111.12 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 mt -59.92 -49.24 78.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.049 0.54 . . . . 0.0 111.271 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.37 -42.43 95.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.009 0.523 . . . . 0.0 111.919 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.72 -36.17 80.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.42 -33.7 69.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.172 0.896 . . . . 0.0 111.103 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.21 -54.83 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 108.88 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.8 -27.28 50.32 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.19 -28.79 64.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.346 1.059 . . . . 0.0 113.069 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.37 -27.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -96.41 20.13 11.02 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.716 1.606 . . . . 0.0 112.864 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -24.59 66.36 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.13 0.972 . . . . 0.0 113.447 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -84.52 -7.82 59.14 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.991 1.317 . . . . 0.0 113.503 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 26.92 46.28 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.012 1.291 . . . . 0.0 114.928 171.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -73.15 -31.57 64.34 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.6 -0.23 86.04 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.705 1.621 . . . . 0.0 114.185 -173.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -135.2 158.94 43.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.739 2.016 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.12 128.32 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.476 1.911 . . . . 0.0 108.218 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.96 158.62 17.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.768 1.227 . . . . 0.0 111.005 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.493 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 29.4 t80 -53.84 -43.17 95.97 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -173.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.86 -34.34 82.35 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.962 2.441 . . . . 0.0 113.613 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.97 -42.28 69.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.272 1.029 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.95 -41.03 97.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.284 1.434 . . . . 0.0 111.647 172.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.08 -32.03 72.06 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.374 -0.829 . . . . 0.0 112.563 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -64.78 -47.73 77.08 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.67 1.123 . . . . 0.0 111.006 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.5 ptp -65.57 -26.16 67.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.3 mmm -76.13 -45.7 32.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.39 1.076 . . . . 0.0 111.966 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 124.99 1.316 . . . . 0.0 112.786 -179.826 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -33.63 76.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.916 1.286 . . . . 0.0 112.834 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.73 -42.02 74.53 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.192 -0.942 . . . . 0.0 110.26 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.76 -37.84 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.749 1.22 . . . . 0.0 110.429 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.61 -50.3 45.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.462 1.105 . . . . 0.0 112.971 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.3 -30.56 70.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.387 1.075 . . . . 0.0 112.284 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.91 67.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.0 -29.0 55.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.847 -1.158 . . . . 0.0 113.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.14 -24.9 67.86 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 m -78.91 -31.78 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.268 0.94 . . . . 0.0 113.359 173.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -81.24 -21.79 39.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.994 0.815 . . . . 0.0 112.597 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -84.55 95.73 8.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.818 1.247 . . . . 0.0 110.147 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.74 -12.11 60.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -100.81 -24.67 14.33 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.118 1.367 . . . . 0.0 113.133 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.64 84.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.939 1.256 . . . . 0.0 113.41 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -72.29 -18.5 61.79 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.872 1.669 . . . . 0.0 115.171 -169.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.49 9.83 49.28 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.53 1.062 . . . . 0.0 113.955 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -137.61 150.49 47.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.576 1.55 . . . . 0.0 113.397 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.7 161.24 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.362 1.465 . . . . 0.0 110.024 171.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.9 t -73.97 144.37 45.25 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.487 -1.383 . . . . 0.0 111.215 168.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.57 63.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.311 -0.868 . . . . 0.0 112.533 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.77 65.46 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.081 -1.012 . . . . 0.0 113.189 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.79 -35.08 74.57 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.585 -0.697 . . . . 0.0 111.178 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.76 -44.21 97.02 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.893 0.77 . . . . 0.0 111.088 170.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -65.41 -29.53 70.23 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -76.11 -47.85 22.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.101 -1.0 . . . . 0.0 112.28 173.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.59 -52.67 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.81 1.244 . . . . 0.0 111.92 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -74.27 -14.42 60.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -162.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -119.7 31.73 6.41 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.171 1.788 . . . . 0.0 111.931 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -151.72 -45.06 0.11 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.196 0.999 . . . . 0.0 113.227 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.9 mt -89.97 144.5 25.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.893 1.277 . . . . 0.0 111.058 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.35 -154.18 48.07 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.334 0.968 . . . . 0.0 113.513 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' B' 1906 ' ' MET . 6.3 pt-20 -76.86 134.94 38.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.306 0.642 . . . . 0.0 109.755 162.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -93.57 158.19 15.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.546 1.139 . . . . 0.0 112.41 -172.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -107.12 179.12 4.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.761 1.224 . . . . 0.0 111.827 163.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.0 p -78.28 163.96 25.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.69 -29.79 68.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.254 1.422 . . . . 0.0 112.542 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.91 -47.45 37.74 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.363 1.065 . . . . 0.0 111.19 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -74.82 -34.46 62.37 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.663 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.28 -32.62 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 120.6 1.546 . . . . 0.0 111.535 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.42 -41.73 55.26 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.519 -0.738 . . . . 0.0 111.61 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.85 -39.51 81.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 111.423 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.72 -41.13 76.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.03 0.932 . . . . 0.0 111.452 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.3 mt -79.24 -34.09 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.056 0.942 . . . . 0.0 111.636 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.261 1.025 . . . . 0.0 110.994 173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.84 -29.34 40.11 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.436 1.094 . . . . 0.0 113.065 171.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.23 -40.76 23.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.577 1.535 . . . . 0.0 113.357 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.757 -170.741 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.383 0 CA-C-O 120.495 -0.058 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -91.92 120.78 32.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.039 1.335 . . . . 0.0 108.607 170.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.6 t -79.85 122.16 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.756 1.622 . . . . 0.0 109.967 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -79.0 84.35 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.083 0.953 . . . . 0.0 109.17 168.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -66.78 -21.4 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -57.86 -40.59 80.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.213 1.005 . . . . 0.0 111.226 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.58 -36.67 51.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.318 1.047 . . . . 0.0 111.85 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -66.02 -32.3 73.69 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.96 -50.95 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.515 1.126 . . . . 0.0 110.265 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -70.07 -41.71 73.76 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.343 0.657 . . . . 0.0 111.063 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttm -52.16 -43.02 63.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.87 1.268 . . . . 0.0 112.197 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.6 mtm -73.37 -45.43 55.01 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -163.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.4 -49.58 53.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.868 0.758 . . . . 0.0 111.728 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.2 m -72.96 -28.31 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.117 0.871 . . . . 0.0 112.613 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 62.9 m -63.82 -43.53 95.97 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.885 0.874 . . . . 0.0 111.935 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.24 75.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.02 0.528 . . . . 0.0 111.885 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1906 ' ' MET . . . . . 0.411 ' HG2' ' H ' ' A' ' 114' ' ' GLU . 44.6 mtt -57.98 -48.87 78.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.993 0.917 . . . . 0.0 112.25 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.7 t -66.34 -37.15 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.834 0.854 . . . . 0.0 110.968 -172.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 77.1 mt -69.28 -50.7 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.279 0.49 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -69.5 -24.07 63.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.01 0.823 . . . . 0.0 112.728 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -75.9 -31.39 59.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.629 1.104 . . . . 0.0 112.172 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -67.97 -43.84 78.08 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.025 -1.047 . . . . 0.0 110.764 167.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 45.3 t80 -63.64 -42.31 98.15 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -55.96 -45.96 78.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.397 1.079 . . . . 0.0 112.339 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -70.54 -36.07 73.49 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.734 0.814 . . . . 0.0 112.521 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.62 -42.62 97.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.542 -0.724 . . . . 0.0 111.998 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.417 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -110.57 162.85 14.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.03 1.332 . . . . 0.0 111.982 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.47 -34.07 74.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.234 1.013 . . . . 0.0 112.894 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.52 -25.45 50.27 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.9 -42.35 66.84 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.947 0.794 . . . . 0.0 110.93 171.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.78 -36.04 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.171 0.989 . . . . 0.0 111.811 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.44 75.64 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.82 0.848 . . . . 0.0 113.07 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.87 -38.26 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.279 1.032 . . . . 0.0 112.04 175.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.87 -27.8 69.11 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.605 -0.684 . . . . 0.0 112.014 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -64.67 -39.63 94.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.928 0.891 . . . . 0.0 112.692 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.01 -42.38 80.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.439 0.696 . . . . 0.0 111.423 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.58 96.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.58 -38.88 91.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.389 1.075 . . . . 0.0 111.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -62.52 -34.97 77.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.223 1.009 . . . . 0.0 113.43 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.97 -18.54 60.86 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.924 -1.11 . . . . 0.0 113.623 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -98.3 -10.77 23.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.216 1.406 . . . . 0.0 113.469 172.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.04 64.92 5.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.747 1.619 . . . . 0.0 109.946 161.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.97 -17.37 62.66 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -87.13 -18.59 30.1 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.143 1.377 . . . . 0.0 113.083 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 17.85 71.41 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.01 1.29 . . . . 0.0 114.461 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.39 -8.59 50.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.076 1.35 . . . . 0.0 114.061 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 17.11 35.1 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.588 1.566 . . . . 0.0 114.83 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.8 p -136.56 149.62 48.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.775 1.63 . . . . 0.0 110.719 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -99.66 159.06 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.372 0.669 . . . . 0.0 110.252 167.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.16 148.48 37.75 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 p -57.61 -33.75 68.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.15 0.98 . . . . 0.0 111.62 170.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -63.46 -28.94 70.31 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.087 1.355 . . . . 0.0 113.448 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -89.93 -17.1 28.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.052 0.941 . . . . 0.0 112.993 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -52.4 -46.48 66.29 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.083 1.311 . . . . 0.0 111.777 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.92 -8.43 34.79 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.328 -1.262 . . . . 0.0 113.967 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -99.61 -42.13 7.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.202 2.201 . . . . 0.0 111.869 168.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.07 -40.48 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 119.828 1.195 . . . . 0.0 110.826 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.9 mmm -60.41 -38.98 85.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.98 0.512 . . . . 0.0 111.648 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.73 -37.07 73.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.517 1.127 . . . . 0.0 112.368 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -24.96 67.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.782 0.833 . . . . 0.0 112.401 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.2 mt -98.06 9.4 42.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.384 1.874 . . . . 0.0 113.616 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.24 12.36 76.2 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.485 1.041 . . . . 0.0 114.513 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -82.04 146.8 29.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.424 1.112 . . . . 0.0 110.316 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -122.58 44.7 0.91 Allowed Pre-proline 0 CA--C 1.557 1.243 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -67.09 147.7 79.99 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.051 1.834 . . . . 0.0 111.185 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 m -74.23 158.57 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.935 0.894 . . . . 0.0 109.845 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.03 -33.57 67.33 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.333 1.053 . . . . 0.0 112.929 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.43 79.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.773 0.829 . . . . 0.0 112.958 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.97 -43.47 68.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.386 0.674 . . . . 0.0 110.635 173.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.22 -47.71 82.64 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.204 0.602 . . . . 0.0 110.865 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.95 -42.3 98.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.591 0.632 . . . . 0.0 111.91 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.75 -31.67 72.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.662 0.664 . . . . 0.0 112.625 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -78.36 -24.28 46.52 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 111.62 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.06 -49.85 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.62 -24.33 55.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.15 0.98 . . . . 0.0 113.175 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.54 -27.15 64.91 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.968 1.307 . . . . 0.0 112.847 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.64 -30.08 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -169.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.55 41.04 0.99 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 112.529 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.23 67.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.952 1.301 . . . . 0.0 113.917 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.28 -16.33 56.58 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.428 . . . . 0.0 112.871 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.61 17.33 80.17 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.696 1.141 . . . . 0.0 113.282 -175.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.91 -26.87 63.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 113.55 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.82 13.5 64.62 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.459 1.504 . . . . 0.0 114.179 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.8 p -135.35 157.68 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.118 1.367 . . . . 0.0 112.835 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.76 129.71 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.541 1.937 . . . . 0.0 109.108 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.79 155.88 18.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.144 1.378 . . . . 0.0 111.491 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.48 -50.34 80.66 Favored Pre-proline 0 CA--C 1.549 0.926 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.57 -24.65 41.7 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.277 1.985 . . . . 0.0 113.474 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -69.61 -42.38 74.45 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.198 0.908 . . . . 0.0 110.458 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.24 -40.57 96.3 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.053 1.341 . . . . 0.0 112.598 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.24 -29.01 69.17 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.927 -1.108 . . . . 0.0 112.845 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.0 m -62.34 -38.66 90.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.959 0.904 . . . . 0.0 110.981 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.1 mtt -62.18 -50.55 71.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.446 0.699 . . . . 0.0 111.056 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.4 mmm -58.86 -48.05 82.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.524 1.129 . . . . 0.0 111.94 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 124.483 1.113 . . . . 0.0 113.1 179.132 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 -26.44 57.31 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -72.62 -37.8 67.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.377 1.471 . . . . 0.0 110.945 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.13 -41.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.828 1.251 . . . . 0.0 110.95 166.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -62.49 -37.67 86.9 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.02 -38.37 76.08 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.97 0.805 . . . . 0.0 112.306 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.23 91.31 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.262 -0.899 . . . . 0.0 112.707 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -68.71 -37.54 79.57 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.692 -0.63 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -66.78 -33.95 76.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.858 0.754 . . . . 0.0 112.554 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.11 -34.8 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.052 0.941 . . . . 0.0 111.911 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -89.66 -6.62 55.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -68.16 131.14 44.87 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.636 173.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.26 -13.14 60.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -148.6 -17.05 0.32 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.94 45.47 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.964 1.269 . . . . 0.0 112.411 -167.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.53 -17.89 53.06 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.26 1.424 . . . . 0.0 114.259 -172.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.95 11.67 56.26 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.474 1.512 . . . . 0.0 113.863 -174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -138.07 151.21 47.61 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.149 1.379 . . . . 0.0 113.682 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.0 pt -132.16 169.25 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 109.158 167.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -89.44 152.23 21.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.185 1.357 . . . . 0.0 112.256 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.47 71.61 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.358 -0.839 . . . . 0.0 112.018 173.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.3 81.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.916 0.886 . . . . 0.0 111.731 171.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.44 -45.32 91.45 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.138 0.575 . . . . 0.0 111.045 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.2 -39.86 88.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.319 0.648 . . . . 0.0 112.284 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -68.97 -40.81 78.64 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.833 -0.542 . . . . 0.0 111.326 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -72.55 -44.62 61.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.783 0.833 . . . . 0.0 113.241 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.46 -32.57 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.9 -1.125 . . . . 0.0 111.928 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.93 -21.31 63.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 113.937 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.5 p -111.58 12.01 21.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.244 1.418 . . . . 0.0 112.954 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -132.99 -45.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.9 137.92 31.97 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.659 1.184 . . . . 0.0 111.094 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.09 -144.95 49.89 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.692 1.139 . . . . 0.0 113.198 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -59.26 139.51 56.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.554 0.742 . . . . 0.0 110.93 165.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -88.64 123.29 32.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.24 0.616 . . . . 0.0 110.969 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.9 142.99 41.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.196 0.999 . . . . 0.0 110.827 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.94 150.97 47.85 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.915 1.286 . . . . 0.0 111.205 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -56.81 -43.84 81.39 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.958 1.303 . . . . 0.0 112.912 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.29 -33.25 69.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.342 0.519 . . . . 0.0 112.152 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -72.3 -47.86 46.67 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.877 0.871 . . . . 0.0 110.522 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.0 -33.37 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.964 0.802 . . . . 0.0 112.042 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.37 -38.76 88.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.049 -1.032 . . . . 0.0 111.938 173.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -68.47 -38.1 80.75 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.953 0.901 . . . . 0.0 111.96 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttm -58.35 -44.48 88.79 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.886 0.875 . . . . 0.0 111.079 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.64 -39.68 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.057 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -58.33 -42.08 86.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.421 1.009 . . . . 0.0 112.002 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.95 -27.49 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.287 1.435 . . . . 0.0 112.71 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 -44.6 11.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.323 1.049 . . . . 0.0 113.232 177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 125.237 1.415 . . . . 0.0 113.958 -170.498 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.92 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.87 145.42 34.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.155 -0.615 . . . . 0.0 109.781 151.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.7 121.87 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.957 2.103 . . . . 0.0 108.534 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -76.75 96.6 4.27 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 163.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -71.07 -24.07 62.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.81 -45.17 93.85 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 110.472 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.25 -30.12 64.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.659 0.784 . . . . 0.0 112.532 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.35 -42.7 98.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.113 -0.992 . . . . 0.0 112.345 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.28 -44.26 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.729 0.695 . . . . 0.0 111.803 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.36 -22.91 61.84 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.188 0.904 . . . . 0.0 113.384 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.1 mtm -79.9 -16.0 56.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.387 0.994 . . . . 0.0 112.969 170.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.3 -46.5 8.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.079 1.352 . . . . 0.0 112.047 176.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.48 1.063 0 C-N-CA 124.79 1.236 . . . . 0.0 113.604 -178.639 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.39 -46.13 64.62 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.235 -0.916 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.0 m -72.42 -27.82 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.447 0.567 . . . . 0.0 112.359 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -61.2 -41.89 97.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.379 0.991 . . . . 0.0 111.74 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.82 76.93 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.191 -0.943 . . . . 0.0 112.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.3 mtm -73.35 -37.56 66.05 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.371 0.668 . . . . 0.0 112.526 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.89 -46.38 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.716 1.206 . . . . 0.0 111.018 173.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.53 -49.73 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.969 -0.457 . . . . 0.0 111.197 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.72 -25.3 62.88 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.268 0.94 . . . . 0.0 112.958 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -63.63 -42.38 98.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.965 1.257 . . . . 0.0 111.188 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.01 88.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.562 0.745 . . . . 0.0 111.683 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 35.9 t80 -68.3 -37.67 80.87 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.747 -0.596 . . . . 0.0 112.514 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.4 -42.77 99.25 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.1 0.96 . . . . 0.0 111.461 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.0 -37.64 88.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.04 0.936 . . . . 0.0 112.038 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.91 -48.48 76.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.457 1.103 . . . . 0.0 112.57 172.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 125.013 1.325 . . . . 0.0 112.571 -178.156 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -96.47 6.22 49.19 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.142 1.777 . . . . 0.0 112.73 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -158.23 157.8 33.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.199 1.8 . . . . 0.0 110.098 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.5 164.16 26.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.681 1.192 . . . . 0.0 113.324 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.74 160.33 33.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.821 1.648 . . . . 0.0 112.017 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.27 -35.95 76.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.587 0.755 . . . . 0.0 112.606 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.16 -24.97 63.25 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -80.11 -46.19 16.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.486 0.714 . . . . 0.0 109.901 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.14 -39.3 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.302 1.041 . . . . 0.0 111.658 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.137 0.975 . . . . 0.0 113.382 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -85.68 -41.61 15.01 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.892 0.877 . . . . 0.0 111.704 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.06 -28.51 68.89 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.04 -40.28 94.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.662 0.785 . . . . 0.0 111.357 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.02 57.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.136 0.574 . . . . 0.0 112.257 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.56 -38.23 86.72 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.443 0.697 . . . . 0.0 112.424 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -69.7 -14.96 63.06 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -30.7 46.34 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.367 0.985 . . . . 0.0 111.64 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -88.53 -10.07 50.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.429 1.492 . . . . 0.0 113.206 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.81 62.61 0.84 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.245 1.818 . . . . 0.0 111.028 170.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -67.37 -21.55 65.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.305 1.842 . . . . 0.0 113.963 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.62 -20.92 28.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.951 1.7 . . . . 0.0 112.738 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 7.53 86.27 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.025 1.297 . . . . 0.0 113.942 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -89.89 -9.46 48.9 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.746 1.618 . . . . 0.0 113.711 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 21.19 25.99 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.847 1.213 . . . . 0.0 113.635 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -128.56 154.84 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.852 1.661 . . . . 0.0 112.016 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.2 pt -117.45 164.58 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.801 1.241 . . . . 0.0 110.411 162.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -81.3 162.82 23.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 0.0 111.413 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.5 p -62.8 -27.71 69.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.252 1.021 . . . . 0.0 112.496 173.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -77.44 -28.52 52.52 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -19.87 56.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.79 -49.02 74.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.479 1.112 . . . . 0.0 111.55 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.45 -16.27 69.24 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.386 -0.675 . . . . 0.0 113.756 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -82.06 -55.99 4.22 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.056 0.942 . . . . 0.0 110.024 170.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.31 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mtp -66.72 -34.01 76.9 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.351 0.978 . . . . 0.0 112.762 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -81.25 -34.17 32.3 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.913 0.885 . . . . 0.0 112.466 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.3 m -66.72 -21.51 66.08 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.813 -1.179 . . . . 0.0 113.619 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 mt -77.84 1.52 20.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.022 1.329 . . . . 0.0 113.706 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.31 59.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.873 1.225 . . . . 0.0 115.267 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -86.16 173.91 9.49 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.453 1.127 . . . . 0.0 110.715 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -150.08 64.25 6.72 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.8 . . . . 0.0 112.973 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -67.33 158.39 57.22 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.32 2.68 . . . . 0.0 111.321 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -74.87 164.62 26.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.017 0.927 . . . . 0.0 111.469 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -55.77 -37.76 68.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 111.582 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.94 70.43 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.385 1.074 . . . . 0.0 112.482 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.05 -40.81 91.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.802 0.728 . . . . 0.0 111.666 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.23 -48.73 80.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.161 0.584 . . . . 0.0 111.102 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -64.23 -36.45 84.11 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.583 0.628 . . . . 0.0 112.221 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.83 -34.6 78.53 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.044 . . . . 0.0 113.23 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.9 mtm -74.06 -28.83 61.59 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.499 -0.751 . . . . 0.0 111.482 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.16 -46.49 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.867 0.758 . . . . 0.0 110.146 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -56.63 -28.58 60.83 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.464 1.029 . . . . 0.0 113.303 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.05 -13.81 60.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 114.01 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -125.82 -27.21 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -87.25 19.25 3.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.218 1.807 . . . . 0.0 112.39 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.03 64.67 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.787 1.235 . . . . 0.0 113.488 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.73 -16.83 56.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.072 1.349 . . . . 0.0 113.543 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 10.33 85.42 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.244 1.402 . . . . 0.0 115.211 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -77.02 -15.94 59.46 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.33 9.97 86.52 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.701 1.143 . . . . 0.0 114.444 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -136.41 159.23 42.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 112.284 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.54 122.07 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 126.1 1.76 . . . . 0.0 108.485 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.68 153.28 35.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.254 1.021 . . . . 0.0 111.336 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -47.4 -49.84 51.98 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 116.863 -1.541 . . . . 0.0 115.041 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.58 -26.83 69.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.597 2.198 . . . . 0.0 114.197 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -74.11 -38.87 63.71 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.008 1.276 . . . . 0.0 111.422 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.16 -40.94 99.01 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.304 1.042 . . . . 0.0 111.395 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.44 -25.3 66.67 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.218 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -60.81 -39.25 88.27 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 120.411 1.459 . . . . 0.0 111.445 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.21 -41.97 98.87 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.844 0.458 . . . . 0.0 111.156 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.42 -38.31 74.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 112.19 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.75 99.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.586 1.155 . . . . 0.0 111.988 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.16 -27.87 68.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.592 1.157 . . . . 0.0 112.86 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -75.51 -27.49 58.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.184 0.994 . . . . 0.0 112.981 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.2 mmt -66.11 133.28 50.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.781 0.832 . . . . 0.0 110.539 171.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -151.89 151.23 31.01 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -88.64 4.32 47.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.896 2.078 . . . . 0.0 114.616 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -67.71 170.03 8.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.862 1.665 . . . . 0.0 113.17 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.1 155.69 39.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.2 1.4 . . . . 0.0 113.717 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -162.66 145.55 11.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.954 1.702 . . . . 0.0 109.939 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -53.17 -40.91 64.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.414 1.086 . . . . 0.0 112.115 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 -20.17 64.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.169 0.987 . . . . 0.0 112.963 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -87.71 -46.12 9.76 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.591 1.156 . . . . 0.0 110.742 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.92 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.649 0.78 . . . . 0.0 111.339 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.5 -38.23 83.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.776 0.831 . . . . 0.0 112.62 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.79 -33.86 75.64 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.471 0.708 . . . . 0.0 112.141 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.21 86.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.539 0.609 . . . . 0.0 110.764 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -64.54 -39.29 93.5 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.25 -36.31 83.24 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.584 0.629 . . . . 0.0 112.06 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.76 -37.76 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.391 1.076 . . . . 0.0 111.919 171.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -82.77 -23.12 34.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -78.49 73.21 5.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.559 1.143 . . . . 0.0 110.834 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.24 -18.68 65.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.072 1.349 . . . . 0.0 114.346 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -89.76 -20.03 24.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.901 1.28 . . . . 0.0 112.977 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.87 20.13 74.07 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.221 1.391 . . . . 0.0 114.363 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -78.01 -19.0 55.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.2 83.6 Favored Glycine 0 N--CA 1.477 1.415 0 C-N-CA 124.966 1.269 . . . . 0.0 113.971 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.93 151.53 42.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.439 1.895 . . . . 0.0 109.65 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.89 170.06 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.127 0.971 . . . . 0.0 110.253 170.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.9 p -85.08 158.21 20.49 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.9 -1.125 . . . . 0.0 112.724 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.22 74.9 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.489 -0.757 . . . . 0.0 111.66 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.92 97.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.553 0.741 . . . . 0.0 112.136 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.52 -48.2 78.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.606 0.762 . . . . 0.0 111.018 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.56 -43.47 98.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.973 0.806 . . . . 0.0 111.982 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -59.46 -47.52 85.18 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.677 0.671 . . . . 0.0 110.796 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -64.68 -49.06 72.43 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.107 0.867 . . . . 0.0 112.186 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -16.36 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.75 -35.6 12.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.075 1.35 . . . . 0.0 113.563 171.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.3 p -87.46 -25.6 23.66 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.612 1.096 . . . . 0.0 113.715 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -96.64 -52.99 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.118 0.967 . . . . 0.0 112.287 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.12 159.6 15.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.021 1.328 . . . . 0.0 112.811 -171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.23 -145.04 35.51 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.363 0.983 . . . . 0.0 111.276 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.92 146.38 35.59 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 152.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -75.27 109.81 9.09 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.579 -1.326 . . . . 0.0 110.661 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 144.5 55.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.45 1.1 . . . . 0.0 111.113 -175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 146.63 50.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.589 1.156 . . . . 0.0 110.795 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.81 -32.61 72.92 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.8 -23.25 59.66 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.06 -45.95 14.55 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.664 1.186 . . . . 0.0 109.547 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.17 -51.5 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.434 1.094 . . . . 0.0 111.324 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.15 -26.81 68.34 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.43 0.692 . . . . 0.0 112.699 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.21 -42.18 46.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.625 0.77 . . . . 0.0 111.587 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.68 -39.43 91.4 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.621 0.769 . . . . 0.0 111.737 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.07 -56.92 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 110.001 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -49.38 -53.54 21.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.711 1.204 . . . . 0.0 113.263 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.67 -20.96 61.15 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -172.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.7 -39.8 10.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.064 0.946 . . . . 0.0 112.816 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.92 -34.71 78.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.344 1.858 . . . . 0.0 112.891 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.98 -41.03 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.424 1.09 . . . . 0.0 110.93 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.58 -38.94 47.3 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.88 0.872 . . . . 0.0 113.106 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -92.62 6.32 77.36 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.08 1.324 . . . . 0.0 114.574 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.6 t0 55.05 57.13 5.83 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.61 1.964 . . . . 0.0 113.62 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.73 -15.62 62.38 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.415 1.483 . . . . 0.0 113.908 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.11 164.24 12.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.711 1.604 . . . . 0.0 109.982 167.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.25 111.98 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.714 1.605 . . . . 0.0 107.971 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.98 70.35 9.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.171 1.389 . . . . 0.0 110.811 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.77 -31.17 71.35 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.33 -34.84 74.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.002 1.321 . . . . 0.0 113.36 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.02 -28.66 16.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 0.0 112.091 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -33.3 72.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.59 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.04 -44.06 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.666 1.186 . . . . 0.0 111.713 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.96 -44.6 54.3 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.384 0.538 . . . . 0.0 110.583 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.88 -22.83 65.89 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -77.94 -23.26 48.62 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.9 t -139.18 6.12 2.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -168.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.36 143.26 50.06 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.717 1.144 . . . . 0.0 112.738 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.976 1.71 . . . . 0.0 112.001 -172.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 CA-C-O 119.593 -0.56 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.35 158.19 54.94 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 124.103 3.202 . . . . 0.0 111.794 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.06 53.84 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.212 0.91 . . . . 0.0 113.702 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.8 m -63.84 -40.16 95.92 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.98 0.912 . . . . 0.0 110.766 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -60.81 -41.76 96.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.222 2.209 . . . . 0.0 111.64 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.44 -44.34 71.49 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.527 -0.733 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.1 m -69.5 -33.68 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.254 0.934 . . . . 0.0 112.099 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.4 m -62.15 -44.3 96.92 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.684 0.675 . . . . 0.0 111.764 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.67 87.94 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.58 -0.7 . . . . 0.0 111.762 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.12 -31.24 72.35 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.1 t -64.18 -45.81 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.823 1.192 . . . . 0.0 111.283 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.38 -43.67 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.259 0.624 . . . . 0.0 111.124 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.053 0.941 . . . . 0.0 112.079 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -68.32 -42.76 78.91 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.443 -0.785 . . . . 0.0 111.806 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.84 98.17 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.091 0.956 . . . . 0.0 111.919 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.63 -38.67 84.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.26 -28.68 68.23 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.22 -0.925 . . . . 0.0 112.726 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -70.54 -41.84 71.97 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.396 0.998 . . . . 0.0 111.95 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 74.4 t60 -57.94 -45.64 86.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.964 0.906 . . . . 0.0 112.103 171.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.66 -41.52 95.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.912 1.685 . . . . 0.0 112.441 172.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.93 -46.55 89.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.2 0.909 . . . . 0.0 111.942 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -78.66 -47.08 17.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.718 0.807 . . . . 0.0 113.157 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 44.2 m -115.36 -15.87 11.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -162.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 64.59 12.22 7.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.771 2.028 . . . . 0.0 114.518 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -65.72 -20.88 66.45 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -170.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 36.0 m80 -125.56 25.11 7.08 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.12 1.368 . . . . 0.0 112.657 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -73.53 37.4 0.09 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.311 1.844 . . . . 0.0 114.928 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 15.9 m -73.3 -1.09 16.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.669 1.588 . . . . 0.0 113.655 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.35 -29.84 70.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.389 1.876 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.915 1.686 . . . . 0.0 111.513 179.526 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.535 0.207 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -119.79 -6.88 10.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.114 1.366 . . . . 0.0 112.867 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -149.8 177.05 10.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 110.768 -168.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.86 158.65 34.05 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 p -103.83 161.79 13.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 110.806 165.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.15 -31.84 70.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.709 0.804 . . . . 0.0 113.096 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.5 -21.47 60.4 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -80.44 -43.75 20.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.336 0.971 . . . . 0.0 110.662 168.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -56.2 -37.7 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.211 1.004 . . . . 0.0 111.879 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -25.03 67.91 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.458 1.103 . . . . 0.0 113.46 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.83 -43.46 11.82 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.168 0.987 . . . . 0.0 111.54 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.68 -28.3 69.81 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.73 0.696 . . . . 0.0 112.705 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.89 -36.36 70.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.683 0.793 . . . . 0.0 112.675 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.69 -44.66 81.17 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.679 0.792 . . . . 0.0 111.847 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.81 80.45 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.817 0.447 . . . . 0.0 112.196 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.21 -39.13 82.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.148 0.979 . . . . 0.0 112.494 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -28.99 70.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.16 -22.81 62.94 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.859 -1.151 . . . . 0.0 112.817 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -92.79 -12.99 29.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.363 1.465 . . . . 0.0 113.066 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -81.25 74.51 8.25 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.292 1.437 . . . . 0.0 110.777 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.56 -19.02 65.22 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.12 -16.47 19.53 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.665 1.186 . . . . 0.0 113.287 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 23.83 65.59 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.894 1.235 . . . . 0.0 113.809 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.02 -7.0 40.98 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.335 1.454 . . . . 0.0 114.018 -171.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 9.35 70.24 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.245 1.402 . . . . 0.0 114.062 -175.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -122.08 159.53 26.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.161 1.784 . . . . 0.0 112.068 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -119.79 159.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.532 1.133 . . . . 0.0 110.143 163.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -73.49 148.56 43.03 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -58.8 -32.9 69.77 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.047 0.939 . . . . 0.0 113.051 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -67.97 -19.65 64.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -86.73 -8.91 56.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.303 1.041 . . . . 0.0 113.172 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.64 -49.19 78.52 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.929 0.786 . . . . 0.0 111.13 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.05 73.16 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 123.093 0.377 . . . . 0.0 112.627 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -72.06 -48.92 40.79 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.74 -33.33 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.804 1.184 . . . . 0.0 112.48 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.86 -47.44 82.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.233 0.924 . . . . 0.0 111.475 170.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -72.87 -29.18 62.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.24 1.016 . . . . 0.0 112.991 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.5 m -68.63 -27.81 66.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.951 0.9 . . . . 0.0 112.664 171.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.0 4.31 34.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.423 1.489 . . . . 0.0 112.672 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.85 10.31 65.0 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.491 1.519 . . . . 0.0 115.443 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -88.13 162.83 16.52 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.719 1.26 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -147.56 50.06 0.86 Allowed Pre-proline 0 CA--C 1.556 1.186 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -69.54 164.83 32.86 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.627 2.885 . . . . 0.0 111.782 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -76.17 154.62 35.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.231 0.612 . . . . 0.0 109.823 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.92 -32.28 71.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 0.0 112.328 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.89 79.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.207 1.003 . . . . 0.0 112.801 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.08 -41.15 67.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.657 0.783 . . . . 0.0 110.684 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.33 -50.12 74.22 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.748 0.819 . . . . 0.0 110.791 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -60.24 -39.65 87.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.772 0.829 . . . . 0.0 112.49 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.24 -34.45 78.14 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -78.17 -38.99 42.26 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.504 -0.748 . . . . 0.0 111.309 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.74 -48.69 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.187 0.995 . . . . 0.0 109.882 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -61.73 -28.15 69.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.098 0.959 . . . . 0.0 113.186 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.36 -46.94 30.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.829 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.02 -24.9 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.94 38.49 0.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.785 1.234 . . . . 0.0 112.466 174.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.14 -24.46 67.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.307 1.443 . . . . 0.0 113.935 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.19 -16.32 60.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.907 1.283 . . . . 0.0 113.219 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.72 80.46 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.9 1.238 . . . . 0.0 113.728 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.58 -26.56 60.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 113.869 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.28 74.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.07 1.319 . . . . 0.0 113.17 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.1 p -137.27 161.18 36.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.925 1.69 . . . . 0.0 111.75 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.56 125.28 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.093 1.757 . . . . 0.0 108.557 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.22 153.78 22.4 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.459 1.104 . . . . 0.0 111.354 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -53.03 -48.75 90.71 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 -28.41 60.45 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.19 1.926 . . . . 0.0 113.695 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -74.26 -36.58 63.84 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.133 0.879 . . . . 0.0 111.488 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.8 -42.83 99.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.143 0.977 . . . . 0.0 112.127 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -26.89 68.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -67.51 -31.88 72.31 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.017 1.281 . . . . 0.0 112.628 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -70.79 -27.5 63.95 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.65 0.78 . . . . 0.0 112.868 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.8 mmm -81.89 -46.11 14.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.695 1.198 . . . . 0.0 112.137 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.829 1.652 . . . . 0.0 113.576 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -62.25 -19.15 62.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.68 1.192 . . . . 0.0 113.707 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.36 -15.48 28.95 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.727 1.211 . . . . 0.0 113.809 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 mmt -99.47 6.88 45.82 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.158 1.383 . . . . 0.0 114.404 -171.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.96 150.7 23.77 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -139.8 37.46 1.99 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.328 2.251 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.9 149.06 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.782 1.633 . . . . 0.0 112.999 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -163.17 169.6 19.08 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.761 2.024 . . . . 0.0 111.667 167.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.0 t -163.21 149.52 12.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.385 1.474 . . . . 0.0 111.247 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.59 -30.96 56.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.863 1.265 . . . . 0.0 111.955 173.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.52 -40.01 88.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.716 0.806 . . . . 0.0 112.345 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.29 -36.0 58.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.538 0.735 . . . . 0.0 110.472 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.84 -44.97 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.015 0.926 . . . . 0.0 110.141 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -58.87 -44.22 91.03 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.551 -0.718 . . . . 0.0 112.048 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.62 -28.83 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.509 1.05 . . . . 0.0 112.958 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.31 82.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 110.449 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -63.72 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 171.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.54 -39.21 93.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.132 0.878 . . . . 0.0 111.886 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.62 -38.39 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.869 0.868 . . . . 0.0 112.393 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -81.35 -17.68 48.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.29 116.95 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.871 1.214 . . . . 0.0 110.057 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.73 -8.98 59.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.245 . . . . 0.0 114.227 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -129.16 -19.91 3.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.184 1.394 . . . . 0.0 114.014 -173.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.98 22.26 61.57 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.44 1.019 . . . . 0.0 113.034 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.7 -22.83 60.83 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.5 1.52 . . . . 0.0 114.377 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.65 74.34 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 125.172 1.367 . . . . 0.0 113.65 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -136.74 151.65 49.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.984 2.114 . . . . 0.0 110.804 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.48 159.07 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.903 1.281 . . . . 0.0 109.859 172.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 p -79.53 148.8 31.66 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.017 -1.052 . . . . 0.0 111.961 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.8 72.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.833 0.853 . . . . 0.0 112.108 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.56 85.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.251 1.02 . . . . 0.0 112.227 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.45 -47.4 76.29 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.998 0.519 . . . . 0.0 111.177 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.21 -47.66 84.49 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.84 0.745 . . . . 0.0 111.41 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.3 ttp-105 -56.33 -46.8 79.74 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 111.478 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.58 -45.22 91.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.476 0.71 . . . . 0.0 112.73 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.03 -53.93 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.173 0.589 . . . . 0.0 109.952 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.6 mmt -71.94 -20.72 61.71 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -167.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 p -88.18 -9.72 52.18 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 117.457 -1.258 . . . . 0.0 114.318 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.87 -24.04 2.45 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.96 154.84 19.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.891 1.276 . . . . 0.0 111.77 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.24 -136.39 34.74 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.348 0.975 . . . . 0.0 113.279 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -92.48 87.87 6.15 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.76 1.624 . . . . 0.0 108.47 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -53.73 138.92 34.16 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.596 1.158 . . . . 0.0 113.743 -165.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 mp -90.11 146.88 23.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.42 1.488 . . . . 0.0 112.292 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 m -71.94 159.9 33.46 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.954 1.701 . . . . 0.0 110.242 170.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.19 -42.71 66.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.939 1.296 . . . . 0.0 112.289 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.99 -28.33 66.51 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.66 -48.68 30.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.005 0.82 . . . . 0.0 109.879 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.02 -33.99 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.973 0.806 . . . . 0.0 112.634 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.96 -40.95 97.31 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.51 1.05 . . . . 0.0 111.416 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -71.29 -39.99 71.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 112.476 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.1 -50.37 73.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.68 0.673 . . . . 0.0 110.379 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.18 -40.21 88.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.488 0.715 . . . . 0.0 111.326 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -61.1 -38.5 86.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.729 1.15 . . . . 0.0 112.099 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -80.47 -27.9 37.72 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.81 -40.12 19.12 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.038 -1.038 . . . . 0.0 113.663 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -98.61 41.28 1.14 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.779 2.032 . . . . 0.0 111.908 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.4 pt -62.09 -16.27 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.982 -1.074 . . . . 0.0 113.576 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.8 -23.75 58.54 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.064 1.346 . . . . 0.0 113.091 171.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.55 -1.67 87.26 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.903 1.716 . . . . 0.0 115.935 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.46 -14.18 46.88 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.906 1.282 . . . . 0.0 113.676 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.41 0.69 67.13 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.303 1.43 . . . . 0.0 113.435 -173.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -103.43 129.22 50.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.046 1.338 . . . . 0.0 110.31 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -91.6 121.05 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.677 1.591 . . . . 0.0 109.421 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.82 76.36 5.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.291 1.437 . . . . 0.0 109.57 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -64.09 -29.52 70.65 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.97 -46.67 88.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.847 0.859 . . . . 0.0 111.627 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.27 -25.82 36.25 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.787 -0.571 . . . . 0.0 112.408 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.66 -34.8 71.64 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.197 -0.94 . . . . 0.0 112.603 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.15 -54.7 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 118.547 0.612 . . . . 0.0 111.136 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.32 -32.85 72.23 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.19 -28.59 69.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -90.82 -29.12 17.76 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.4 p -83.82 -34.16 24.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 120.211 1.369 . . . . 0.0 113.155 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.81 173.14 10.88 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.996 0.918 . . . . 0.0 112.514 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.53 1.932 . . . . 0.0 112.957 -179.588 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 CA-C-O 118.999 -0.89 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.46 -35.54 45.74 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.732 3.621 . . . . 0.0 115.763 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -68.14 -18.72 71.37 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 123.932 0.777 . . . . 0.0 114.443 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 69.9 m -97.3 -42.16 7.91 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.955 0.878 . . . . 0.0 111.717 168.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.56 -38.29 90.55 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.119 -0.988 . . . . 0.0 112.842 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.79 -36.81 83.27 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.105 -0.997 . . . . 0.0 112.256 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.5 m -81.79 -30.48 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.021 0.528 . . . . 0.0 112.19 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.9 m -61.29 -43.39 98.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.81 0.732 . . . . 0.0 111.481 172.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.19 55.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.379 0.671 . . . . 0.0 110.782 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.9 mtm -57.21 -36.37 70.79 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -40.9 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.193 0.597 . . . . 0.0 111.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.82 -40.79 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.469 -0.769 . . . . 0.0 110.956 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.66 -40.18 88.51 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.692 0.797 . . . . 0.0 111.677 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.69 -42.32 99.57 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.142 0.577 . . . . 0.0 111.716 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.52 89.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.748 0.819 . . . . 0.0 112.542 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -66.55 -39.03 88.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.239 0.615 . . . . 0.0 111.904 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.66 -34.99 76.66 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.242 -0.911 . . . . 0.0 112.235 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -63.15 -40.37 97.35 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.362 0.983 . . . . 0.0 111.727 167.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.26 -50.12 74.9 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.169 0.895 . . . . 0.0 111.739 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.35 -35.95 82.55 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 112.912 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.84 -44.24 93.77 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.677 0.791 . . . . 0.0 111.996 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -69.89 -34.14 73.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.818 0.735 . . . . 0.0 112.726 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -77.86 -48.05 17.35 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.956 1.302 . . . . 0.0 112.676 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 46.8 m -112.34 -18.87 12.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 70.23 -49.12 0.64 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.04 2.936 . . . . 0.0 113.803 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -76.61 -3.67 38.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.988 1.715 . . . . 0.0 113.362 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -55.76 -37.55 68.68 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.707 -1.246 . . . . 0.0 113.621 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -73.28 -18.15 61.25 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 12.5 m -80.73 -21.9 40.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.741 1.216 . . . . 0.0 112.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -82.07 -19.54 40.03 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.336 1.055 . . . . 0.0 113.191 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.729 1.612 . . . . 0.0 112.598 -176.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.702 0.287 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -140.36 -16.65 0.93 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.071 1.349 . . . . 0.0 113.26 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -82.06 172.0 13.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.972 2.509 . . . . 0.0 112.695 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.45 147.58 40.55 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.6 p -120.52 162.23 19.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.577 1.951 . . . . 0.0 110.56 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.28 -33.65 71.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.52 -21.98 61.84 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -83.97 -43.63 15.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.201 -0.937 . . . . 0.0 110.036 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.38 -39.55 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.333 1.053 . . . . 0.0 111.395 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -26.04 68.12 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.163 0.985 . . . . 0.0 113.612 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -87.29 -42.0 13.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.431 1.092 . . . . 0.0 111.365 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -67.1 -28.5 68.22 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.635 0.774 . . . . 0.0 112.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -60.99 -42.12 97.82 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.636 1.175 . . . . 0.0 112.914 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.08 -38.42 88.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.427 0.691 . . . . 0.0 111.648 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.67 53.02 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.119 0.568 . . . . 0.0 112.04 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -58.57 -39.72 81.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.439 1.095 . . . . 0.0 112.284 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -70.0 -14.46 62.71 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.29 -32.05 55.22 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.78 1.173 . . . . 0.0 111.695 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -86.4 -10.21 54.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.475 1.51 . . . . 0.0 113.126 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -79.74 76.91 6.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.333 1.453 . . . . 0.0 110.228 167.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.94 -23.56 64.16 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.98 -17.04 24.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.017 1.327 . . . . 0.0 113.479 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.98 30.16 48.33 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.615 1.102 . . . . 0.0 113.066 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -102.02 -6.18 23.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.773 1.629 . . . . 0.0 114.143 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.11 11.5 67.22 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.971 1.272 . . . . 0.0 114.518 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.0 p -126.79 160.84 29.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.3 1.84 . . . . 0.0 111.419 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -117.07 160.55 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.877 0.871 . . . . 0.0 110.31 165.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -72.58 150.3 43.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -55.62 -36.77 67.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.984 1.314 . . . . 0.0 112.301 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.78 -28.54 67.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.035 1.334 . . . . 0.0 113.677 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.68 -8.35 56.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.707 1.203 . . . . 0.0 113.14 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.71 -49.82 75.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.971 1.259 . . . . 0.0 111.405 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.68 -21.93 73.2 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.277 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 m -78.1 -50.66 11.59 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.66 1.23 . . . . 0.0 110.476 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.46 -38.46 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.058 0.845 . . . . 0.0 112.585 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.23 -40.42 86.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.703 1.138 . . . . 0.0 112.475 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -73.01 -28.24 62.25 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.806 -0.559 . . . . 0.0 112.506 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -69.33 -28.52 66.31 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.982 -1.074 . . . . 0.0 112.93 169.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -83.47 10.07 9.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.161 1.784 . . . . 0.0 112.561 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.41 12.84 82.03 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.623 1.106 . . . . 0.0 114.587 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.78 147.24 37.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.78 1.29 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -116.25 28.94 0.12 Allowed Pre-proline 0 CA--C 1.563 1.472 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -68.71 159.2 54.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.605 1.966 . . . . 0.0 110.884 171.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -72.2 166.17 22.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.266 0.626 . . . . 0.0 112.504 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.71 -33.85 70.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.965 0.506 . . . . 0.0 111.794 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -40.74 73.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.126 0.971 . . . . 0.0 112.637 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.7 -39.86 88.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.21 0.604 . . . . 0.0 111.455 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.16 -37.77 86.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.695 0.68 . . . . 0.0 111.868 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.2 -40.85 94.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.547 0.739 . . . . 0.0 111.274 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.67 -33.49 75.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.047 0.939 . . . . 0.0 112.831 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtt -66.03 -31.06 71.73 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.993 0.917 . . . . 0.0 112.098 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.13 -52.91 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.757 0.823 . . . . 0.0 109.418 171.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -55.55 -27.89 51.61 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -68.31 -23.64 64.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.079 1.351 . . . . 0.0 113.164 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.4 m -123.86 -24.85 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -88.72 8.63 27.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 113.456 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.47 69.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.209 1.403 . . . . 0.0 113.425 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.24 -0.5 56.81 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.883 1.273 . . . . 0.0 113.115 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.51 28.55 39.11 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.133 1.349 . . . . 0.0 113.585 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.21 -39.98 96.17 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.6 -7.84 23.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.533 1.54 . . . . 0.0 114.741 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -143.82 160.35 40.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.146 2.178 . . . . 0.0 111.006 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.4 130.91 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.906 1.682 . . . . 0.0 109.154 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -90.23 152.02 21.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.68 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -52.69 -51.85 69.77 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -170.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.92 -26.54 59.08 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.317 1.863 . . . . 0.0 113.554 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.44 -42.54 64.93 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.664 1.12 . . . . 0.0 110.955 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.1 -42.88 81.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.763 1.225 . . . . 0.0 112.247 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 -39.0 87.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.366 0.53 . . . . 0.0 112.374 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 m -64.3 -45.71 86.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.3 1.04 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.84 -31.46 72.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -65.4 -55.37 18.46 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.128 0.877 . . . . 0.0 110.99 170.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.96 73.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.16 -46.12 44.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.179 0.992 . . . . 0.0 112.959 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -94.18 -8.28 39.82 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -166.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.2 mtt -56.14 143.33 33.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.492 1.117 . . . . 0.0 111.983 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -170.43 153.02 4.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.737 2.015 . . . . 0.0 112.206 -166.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -143.95 27.16 1.48 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.719 2.008 . . . . 0.0 109.643 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m -107.3 132.61 52.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.651 1.18 . . . . 0.0 111.239 -145.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.8 152.39 21.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.204 1.002 . . . . 0.0 113.52 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.9 p -89.54 161.0 16.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.272 1.029 . . . . 0.0 112.4 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.29 -29.65 66.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.779 0.832 . . . . 0.0 112.354 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.25 -37.61 60.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.055 0.942 . . . . 0.0 111.817 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.93 -41.63 86.69 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.455 -0.778 . . . . 0.0 110.704 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mt -65.04 -38.23 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.509 1.123 . . . . 0.0 110.849 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.55 -44.55 96.0 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.992 0.917 . . . . 0.0 112.617 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.24 -32.51 74.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.481 0.712 . . . . 0.0 112.217 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.56 71.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 112.753 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -78.05 -36.92 47.88 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.557 -0.714 . . . . 0.0 112.354 168.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -62.52 -35.15 78.48 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.286 0.635 . . . . 0.0 112.516 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.27 -19.17 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.8 -0.35 55.88 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.017 1.327 . . . . 0.0 113.69 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -79.29 65.22 4.4 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.087 1.355 . . . . 0.0 110.876 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -63.61 -25.94 68.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.451 1.5 . . . . 0.0 113.929 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.64 -14.55 48.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.136 1.374 . . . . 0.0 113.482 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.03 11.75 83.77 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.862 1.22 . . . . 0.0 114.014 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -86.11 -18.27 32.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.861 1.265 . . . . 0.0 114.307 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.98 17.35 54.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.494 1.521 . . . . 0.0 114.022 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -139.65 155.95 47.11 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.655 1.582 . . . . 0.0 112.679 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.16 173.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.044 1.738 . . . . 0.0 109.654 167.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.4 p -105.46 162.2 13.67 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.408 -1.433 . . . . 0.0 112.454 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.93 74.69 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.085 -1.009 . . . . 0.0 111.525 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.85 81.31 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.67 0.788 . . . . 0.0 112.356 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.07 -44.85 91.16 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.497 0.719 . . . . 0.0 110.661 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 mt -56.63 -41.32 76.91 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.173 0.897 . . . . 0.0 112.229 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -66.47 -9.67 36.71 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -110.14 -52.73 2.75 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.994 1.317 . . . . 0.0 112.131 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.06 -23.85 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.636 1.174 . . . . 0.0 113.21 -170.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.8 mmt -87.89 -13.85 40.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.466 1.107 . . . . 0.0 113.751 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -115.55 3.12 13.96 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -165.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.36 -18.9 0.87 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.34 127.05 41.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.527 1.131 . . . . 0.0 110.34 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.31 -140.51 37.54 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.65 0.643 . . . . 0.0 111.805 -174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.54 150.87 48.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.16 0.505 . . . . 0.0 110.701 164.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -94.46 127.45 40.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.983 -1.073 . . . . 0.0 112.216 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -73.32 140.61 46.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.7 0.8 . . . . 0.0 110.823 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -66.51 150.62 48.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.767 1.627 . . . . 0.0 110.937 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.33 -29.25 70.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.875 1.27 . . . . 0.0 113.961 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.52 -35.73 45.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.66 0.784 . . . . 0.0 111.671 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.6 -40.81 55.89 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.977 0.911 . . . . 0.0 111.709 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.52 -32.69 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.56 1.073 . . . . 0.0 111.654 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.14 -39.96 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.333 -0.854 . . . . 0.0 112.072 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.72 -33.86 74.65 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.973 0.909 . . . . 0.0 112.015 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.3 ttm -59.29 -47.29 85.93 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.234 -0.916 . . . . 0.0 110.93 168.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.47 -28.22 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.057 0.943 . . . . 0.0 113.189 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -52.1 -37.82 55.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.434 1.015 . . . . 0.0 112.502 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -11.21 34.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.695 1.198 . . . . 0.0 113.609 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -38.3 14.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.935 1.243 . . . . 0.0 113.005 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -75.48 -1.91 26.38 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.35 1.86 . . . . 0.0 114.501 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.3 pt -61.58 -14.75 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.638 1.575 . . . . 0.0 114.901 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.71 -29.88 70.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.995 1.718 . . . . 0.0 112.893 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.32 -21.11 26.59 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.927 1.727 . . . . 0.0 115.445 172.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -11.41 54.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.207 1.504 . . . . 0.0 113.539 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.21 -10.01 76.04 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.297 1.427 . . . . 0.0 113.429 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -84.17 149.05 26.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.161 1.384 . . . . 0.0 109.997 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 119.33 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.59 96.89 5.59 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 162.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -66.65 -22.54 66.1 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.97 -44.03 97.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.748 1.219 . . . . 0.0 111.737 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.16 -29.69 57.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.815 0.846 . . . . 0.0 112.336 170.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.55 -37.07 85.91 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.025 -1.047 . . . . 0.0 112.345 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -51.22 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.873 0.869 . . . . 0.0 110.244 168.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.25 -38.87 92.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.37 0.668 . . . . 0.0 112.174 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.1 mtm -68.85 -33.95 74.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 112.847 174.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.7 ttm -71.53 -43.33 66.63 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.682 0.793 . . . . 0.0 111.984 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 65.1 p -91.65 4.22 53.21 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.01 1.324 . . . . 0.0 114.115 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.58 136.84 49.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.942 1.297 . . . . 0.0 112.78 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 C--O 1.249 1.044 0 C-N-CA 126.505 1.922 . . . . 0.0 111.521 -176.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.669 -0.517 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.28 157.69 56.4 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 124.376 3.384 . . . . 0.0 111.798 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -77.02 164.96 53.24 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 123.934 0.778 . . . . 0.0 114.024 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 17.4 m -64.36 -39.98 94.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.51 0.724 . . . . 0.0 111.058 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.1 -38.17 90.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.388 1.875 . . . . 0.0 111.783 172.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.6 -46.93 62.47 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.361 -0.837 . . . . 0.0 111.625 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -67.52 -32.51 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.739 0.7 . . . . 0.0 111.548 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 60.6 m -62.27 -45.86 91.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.516 1.053 . . . . 0.0 112.082 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.59 86.18 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.51 -0.744 . . . . 0.0 111.336 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.5 mtm -66.76 -31.0 71.36 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 8.8 t -65.26 -44.78 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.464 1.105 . . . . 0.0 111.315 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.33 -41.0 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.464 0.575 . . . . 0.0 110.825 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -62.47 -40.93 98.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.618 0.767 . . . . 0.0 111.833 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -65.81 -42.45 90.64 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.113 -0.992 . . . . 0.0 111.187 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.68 88.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.944 0.898 . . . . 0.0 112.502 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 55.7 t80 -67.77 -41.52 83.17 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.879 -0.513 . . . . 0.0 111.704 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -63.59 -35.81 81.74 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.006 -1.058 . . . . 0.0 112.188 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.56 -40.66 84.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.084 0.954 . . . . 0.0 111.944 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.83 -42.83 94.4 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.867 0.867 . . . . 0.0 111.731 172.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.06 -35.79 81.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.019 0.928 . . . . 0.0 112.709 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.61 -42.37 98.21 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.841 0.746 . . . . 0.0 111.276 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -73.82 -11.62 60.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -81.56 -38.32 26.34 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.106 0.962 . . . . 0.0 113.138 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.2 p -106.12 -26.6 11.54 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 2.9 mm? 63.2 -71.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.919 2.888 . . . . 0.0 113.629 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -160.4 34.06 0.16 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.576 1.55 . . . . 0.0 112.57 -168.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 75.8 t60 -59.95 144.05 50.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.703 -1.248 . . . . 0.0 112.387 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -157.61 165.37 35.7 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.603 1.561 . . . . 0.0 112.754 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 8.5 t -165.01 -179.26 5.62 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.937 1.695 . . . . 0.0 111.267 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 65.0 t80 -68.2 -29.56 68.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.752 1.221 . . . . 0.0 113.06 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.184 1.794 . . . . 0.0 111.602 177.109 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.199 0.523 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.97 10.21 39.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.149 1.779 . . . . 0.0 113.043 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -152.74 163.87 38.86 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.101 1.76 . . . . 0.0 109.996 -169.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.57 151.07 42.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.311 1.044 . . . . 0.0 113.677 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.0 p -132.05 159.86 37.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.292 1.837 . . . . 0.0 111.347 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.76 -39.69 74.48 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.327 1.051 . . . . 0.0 112.651 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.99 -22.8 63.1 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -84.34 -44.48 13.75 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.57 0.748 . . . . 0.0 110.675 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.73 -39.25 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.589 1.156 . . . . 0.0 111.636 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.22 68.15 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.247 1.019 . . . . 0.0 113.639 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -90.37 -37.24 14.14 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.246 1.018 . . . . 0.0 112.036 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -63.9 -28.73 70.03 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.428 -0.795 . . . . 0.0 112.976 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.7 tppt? -54.64 -40.64 69.2 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.598 1.159 . . . . 0.0 112.378 170.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.28 -42.88 78.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.677 0.791 . . . . 0.0 112.12 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.96 75.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.129 0.572 . . . . 0.0 112.21 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.01 -34.49 78.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.058 0.943 . . . . 0.0 112.115 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 t -62.17 -31.16 71.63 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.804 1.242 . . . . 0.0 113.88 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -25.26 61.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.695 -1.253 . . . . 0.0 112.811 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -90.51 -15.58 30.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.166 1.387 . . . . 0.0 112.509 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -78.16 69.22 4.34 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.822 1.649 . . . . 0.0 110.948 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -65.73 -24.88 67.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.055 1.342 . . . . 0.0 114.101 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.54 -19.49 31.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 113.109 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.3 9.87 86.57 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.81 1.195 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -91.2 -13.14 33.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.025 1.73 . . . . 0.0 113.741 -173.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 19.63 17.17 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.116 1.341 . . . . 0.0 115.099 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -128.61 153.29 47.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.462 1.505 . . . . 0.0 111.695 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -115.49 162.42 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.088 1.355 . . . . 0.0 110.832 169.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 151.13 41.87 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.433 -0.792 . . . . 0.0 109.075 168.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -57.33 -36.69 71.47 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.364 1.066 . . . . 0.0 111.751 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.12 -24.04 67.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 113.776 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.85 -7.77 57.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.901 1.28 . . . . 0.0 112.613 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.51 -50.03 75.19 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.981 -1.075 . . . . 0.0 111.72 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.5 63.26 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.391 0.519 . . . . 0.0 112.852 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 -44.99 19.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.089 1.356 . . . . 0.0 110.771 173.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.18 -28.85 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 120.377 1.444 . . . . 0.0 112.243 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -56.94 -56.57 20.02 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.169 0.987 . . . . 0.0 110.765 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -67.99 -30.25 69.47 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -63.63 -36.2 83.05 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.88 -1.137 . . . . 0.0 112.712 171.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.54 -4.26 55.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.187 1.395 . . . . 0.0 114.033 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 9.59 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.831 1.205 . . . . 0.0 114.314 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.9 146.71 33.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.341 1.056 . . . . 0.0 109.83 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -128.92 48.44 3.64 Favored Pre-proline 0 CA--C 1.556 1.189 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -65.29 149.89 87.94 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.731 2.287 . . . . 0.0 110.746 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -71.88 167.26 20.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.713 0.805 . . . . 0.0 111.917 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.94 -37.17 71.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.722 0.809 . . . . 0.0 111.518 169.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.31 79.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 112.557 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.4 -44.33 91.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.593 0.633 . . . . 0.0 111.783 174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.93 -49.31 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.511 0.724 . . . . 0.0 110.88 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -65.23 -38.65 91.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.043 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.09 -34.74 78.73 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.563 1.074 . . . . 0.0 112.84 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -71.62 -41.65 68.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.57 0.623 . . . . 0.0 110.565 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.58 -46.59 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.96 0.904 . . . . 0.0 110.582 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -57.66 -31.95 66.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.599 1.159 . . . . 0.0 112.635 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.71 -48.85 12.97 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.633 0.773 . . . . 0.0 112.234 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -80.58 -26.18 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -174.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -95.64 27.8 3.29 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.924 1.29 . . . . 0.0 112.848 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.87 64.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -84.99 -12.22 53.73 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 113.441 173.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.73 12.01 82.09 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.195 1.379 . . . . 0.0 115.747 171.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.74 -22.69 64.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.956 1.378 . . . . 0.0 114.353 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.38 9.27 85.16 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.404 1.478 . . . . 0.0 114.054 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -134.45 159.82 39.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.741 1.616 . . . . 0.0 112.565 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.3 mt -128.46 130.99 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.165 1.786 . . . . 0.0 109.176 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.22 151.96 20.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.083 1.753 . . . . 0.0 111.085 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.458 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 34.1 t80 -50.37 -52.76 51.77 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -171.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.73 -24.51 47.37 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.482 2.121 . . . . 0.0 113.591 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.29 -38.51 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.207 0.912 . . . . 0.0 111.016 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.89 -39.93 95.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.518 1.127 . . . . 0.0 112.08 169.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.39 -34.46 78.21 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.908 -1.12 . . . . 0.0 112.539 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 m -61.85 -41.57 97.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.07 0.948 . . . . 0.0 111.233 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ptp -75.28 -32.52 61.04 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.279 0.945 . . . . 0.0 112.975 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mmm -64.88 -33.9 77.1 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.096 0.862 . . . . 0.0 112.735 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.11 79.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.259 1.024 . . . . 0.0 112.748 175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -66.42 -33.4 75.61 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.492 1.117 . . . . 0.0 112.535 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -71.26 -15.9 62.46 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.82 -3.43 58.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -63.17 108.54 1.29 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.498 1.045 . . . . 0.0 113.419 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.01 -32.73 51.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.8 1.24 . . . . 0.0 111.849 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 t -73.67 174.49 8.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 111.758 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -145.59 155.26 42.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.566 1.546 . . . . 0.0 110.682 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -78.53 126.53 30.89 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.78 0.832 . . . . 0.0 112.113 -170.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.77 -40.77 73.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.623 1.169 . . . . 0.0 112.384 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.83 -34.68 78.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.048 0.939 . . . . 0.0 112.687 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.81 -41.25 75.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.265 0.938 . . . . 0.0 110.41 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.2 -41.7 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.628 0.771 . . . . 0.0 110.097 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -65.45 -43.26 90.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.634 0.652 . . . . 0.0 112.154 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.71 -36.31 76.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.744 0.818 . . . . 0.0 112.412 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.7 70.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -80.43 -38.96 29.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.076 0.853 . . . . 0.0 112.928 167.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -58.2 -34.52 70.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.992 0.917 . . . . 0.0 112.714 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.06 -26.6 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.76 -12.88 40.9 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.374 1.07 . . . . 0.0 113.144 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.73 127.76 32.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.952 0.901 . . . . 0.0 110.225 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.94 -10.31 59.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.441 1.096 . . . . 0.0 113.845 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -131.08 -14.08 3.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.463 1.905 . . . . 0.0 113.555 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.1 8.97 85.82 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.353 1.454 . . . . 0.0 113.563 -171.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -67.06 -24.39 65.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.671 1.988 . . . . 0.0 115.485 -166.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.05 12.63 17.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.376 1.465 . . . . 0.0 114.382 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -139.26 140.47 37.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.893 1.277 . . . . 0.0 114.281 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.93 158.42 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.419 1.888 . . . . 0.0 109.839 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 m -78.01 149.05 34.1 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.142 -0.974 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.53 98.69 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.749 -1.219 . . . . 0.0 112.448 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.474 -0.767 . . . . 0.0 111.952 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.98 -49.66 73.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.89 1.676 . . . . 0.0 111.324 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.99 -46.79 85.99 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.488 -0.758 . . . . 0.0 111.242 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -55.71 -45.44 77.9 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.526 0.731 . . . . 0.0 111.547 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.86 -45.03 65.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.93 -26.26 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.467 -1.396 . . . . 0.0 112.246 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.94 -34.88 62.15 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.685 1.194 . . . . 0.0 113.819 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.3 p -84.85 -22.9 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.228 0.922 . . . . 0.0 112.803 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -99.69 -40.04 7.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -170.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.7 157.95 15.67 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.613 1.165 . . . . 0.0 112.584 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.39 -147.98 46.5 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.312 1.434 . . . . 0.0 113.82 168.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.78 122.03 18.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 157.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -75.34 119.74 19.86 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.741 -0.6 . . . . 0.0 111.856 -166.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.1 153.91 31.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.781 0.832 . . . . 0.0 110.504 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 p -86.98 156.62 19.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.874 1.269 . . . . 0.0 112.821 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -55.94 -39.18 71.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.926 1.29 . . . . 0.0 112.808 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.14 -34.68 76.79 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.792 0.837 . . . . 0.0 112.206 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -77.18 -44.91 28.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.47 -29.06 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.66 1.118 . . . . 0.0 112.513 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.11 -41.21 90.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.514 1.052 . . . . 0.0 111.582 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -70.05 -33.13 71.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.13 0.572 . . . . 0.0 111.987 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -64.75 -47.65 77.45 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.465 -0.772 . . . . 0.0 110.909 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.57 -44.8 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.552 1.141 . . . . 0.0 111.362 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.52 -40.4 62.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.879 1.272 . . . . 0.0 112.414 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -91.77 -27.35 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.55 -42.37 12.11 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -175.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.61 -24.51 60.05 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.337 -0.852 . . . . 0.0 112.919 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 pt -70.94 -10.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.44 -26.98 61.18 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.882 0.764 . . . . 0.0 112.099 169.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -118.98 -136.58 5.4 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.792 2.139 . . . . 0.0 111.535 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -165.16 112.19 0.97 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.327 1.851 . . . . 0.0 110.189 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.73 -38.35 1.48 Allowed Glycine 0 N--CA 1.476 1.318 0 C-N-CA 125.902 1.715 . . . . 0.0 113.644 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -101.51 133.98 45.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.245 1.418 . . . . 0.0 109.394 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.85 121.01 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.909 1.683 . . . . 0.0 109.102 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.04 97.24 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 165.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -73.6 -25.44 60.33 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.29 -43.91 98.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.959 0.904 . . . . 0.0 111.615 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -74.9 -34.96 62.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.85 0.86 . . . . 0.0 111.87 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -63.16 -36.48 83.76 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.389 -0.819 . . . . 0.0 112.87 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.1 t -55.28 -33.55 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.795 0.838 . . . . 0.0 112.627 174.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.22 -46.06 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.183 0.901 . . . . 0.0 111.786 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.9 ptp -74.31 -11.77 60.36 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.7 mtm -84.25 -37.91 21.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 46.5 p -92.85 -27.35 17.19 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.81 1.244 . . . . 0.0 113.775 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -139.83 -155.26 0.57 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.466 1.506 . . . . 0.0 111.934 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt . . . . . 0 C--O 1.254 1.338 0 C-N-CA 130.128 3.371 . . . . 0.0 113.493 178.715 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 CA-C-O 119.624 -0.542 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.03 163.81 37.27 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.314 3.343 . . . . 0.0 111.872 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -144.6 154.87 26.08 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 125.087 1.327 . . . . 0.0 113.386 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 46.7 m -67.51 -33.07 74.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.894 1.278 . . . . 0.0 111.485 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -46.62 -44.57 18.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.336 2.254 . . . . 0.0 113.376 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.44 -35.73 78.02 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.656 -0.653 . . . . 0.0 112.208 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.8 m -87.23 -29.13 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.887 0.875 . . . . 0.0 112.754 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 67.8 m -64.36 -39.19 93.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.124 -0.985 . . . . 0.0 111.645 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.76 51.98 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.96 -17.3 35.75 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 97.3 t -82.11 -41.51 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.301 0.955 . . . . 0.0 111.131 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.56 -43.03 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.561 -0.712 . . . . 0.0 110.754 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.01 -29.29 68.26 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.91 -44.84 91.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.524 1.056 . . . . 0.0 111.036 170.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.55 76.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.957 0.903 . . . . 0.0 111.901 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.48 -36.8 71.27 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.985 -1.072 . . . . 0.0 112.939 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -63.44 -32.69 74.21 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.535 -1.353 . . . . 0.0 111.88 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -69.84 -42.7 73.24 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.421 1.088 . . . . 0.0 111.819 170.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -52.69 -48.95 66.21 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.822 -1.174 . . . . 0.0 112.079 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.524 0.73 . . . . 0.0 111.833 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 33.3 tp -62.05 -38.37 88.52 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.173 0.989 . . . . 0.0 112.306 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -79.25 -39.48 33.0 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.718 0.69 . . . . 0.0 112.325 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -68.28 -49.29 61.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.546 1.538 . . . . 0.0 112.136 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.8 m -113.58 6.96 17.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.119 1.368 . . . . 0.0 113.481 -167.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 70.09 -18.02 0.24 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 129.867 3.267 . . . . 0.0 114.285 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -142.43 175.24 9.93 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 129.272 3.029 . . . . 0.0 109.353 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.44 52.13 1.12 Allowed 'General case' 0 CA--C 1.555 1.138 0 O-C-N 120.283 -1.51 . . . . 0.0 113.165 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . 71.13 -36.79 0.37 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 129.177 2.991 . . . . 0.0 115.394 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 37.6 m -66.95 -8.98 33.65 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -174.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 69.8 t80 -74.86 -17.46 60.59 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.349 1.46 . . . . 0.0 113.353 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--O 1.255 1.36 0 C-N-CA 125.94 1.696 . . . . 0.0 113.214 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.43 0.157 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -137.38 -18.21 1.29 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.688 1.195 . . . . 0.0 113.461 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -169.83 161.51 9.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.084 0.954 . . . . 0.0 110.922 -158.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.12 166.04 23.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.737 0.815 . . . . 0.0 112.623 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -117.97 158.07 25.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.692 1.597 . . . . 0.0 110.841 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.82 -31.53 70.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.34 -24.51 63.0 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.971 0.909 . . . . 0.0 113.239 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -80.17 -45.76 17.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.352 0.661 . . . . 0.0 109.94 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.44 -35.31 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.062 0.945 . . . . 0.0 111.561 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.66 70.65 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.2 1.0 . . . . 0.0 113.624 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.79 -38.89 20.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.1 0.96 . . . . 0.0 111.441 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -65.82 -33.11 75.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.728 0.811 . . . . 0.0 111.813 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 3.8 tppp? -55.81 -46.97 77.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.421 1.088 . . . . 0.0 111.415 170.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.62 -42.63 95.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.627 0.771 . . . . 0.0 111.447 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.59 80.66 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -66.94 -35.22 79.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.038 0.935 . . . . 0.0 112.229 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -61.55 -31.09 71.1 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.68 1.192 . . . . 0.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -27.99 67.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.455 -0.778 . . . . 0.0 112.06 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -92.59 -16.95 25.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.439 1.496 . . . . 0.0 112.944 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.02 72.0 4.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.111 1.364 . . . . 0.0 111.427 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -64.7 -31.17 72.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.387 1.075 . . . . 0.0 113.607 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.05 -16.64 35.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.875 1.27 . . . . 0.0 113.35 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 8.73 87.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.852 1.215 . . . . 0.0 114.372 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.93 -11.95 49.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.363 1.465 . . . . 0.0 113.47 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.53 27.97 12.19 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.325 1.441 . . . . 0.0 113.804 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -132.89 154.27 50.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.089 1.356 . . . . 0.0 112.565 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.81 164.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.283 1.833 . . . . 0.0 110.139 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -80.78 164.47 22.7 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.201 0.91 . . . . 0.0 110.656 165.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -63.44 -19.68 64.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.072 0.949 . . . . 0.0 111.464 170.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -74.15 -18.58 60.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.04 -9.91 23.31 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.742 1.617 . . . . 0.0 112.755 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.89 -49.94 75.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.013 0.925 . . . . 0.0 111.049 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.26 -26.34 70.46 Favored Glycine 0 N--CA 1.471 1.014 0 O-C-N 121.593 -0.692 . . . . 0.0 113.488 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -74.44 -48.58 26.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.887 1.275 . . . . 0.0 110.837 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -29.7 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.888 0.767 . . . . 0.0 112.814 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 mmt -56.98 -52.28 65.87 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.296 0.953 . . . . 0.0 111.173 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.71 -30.93 67.61 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.817 . . . . 0.0 112.76 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -66.83 -28.52 68.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.303 -0.873 . . . . 0.0 112.825 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.82 -0.15 54.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.136 1.374 . . . . 0.0 113.109 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 8.57 77.65 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.037 1.303 . . . . 0.0 114.627 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -82.72 149.54 27.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.736 1.268 . . . . 0.0 110.206 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -123.87 49.76 3.0 Favored Pre-proline 0 CA--C 1.557 1.217 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.41 150.24 80.68 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.768 2.312 . . . . 0.0 111.013 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -74.4 169.66 17.25 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 111.432 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.74 -32.97 67.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.808 0.443 . . . . 0.0 111.932 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.69 65.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.35 1.06 . . . . 0.0 112.397 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -69.24 -32.99 72.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.621 0.646 . . . . 0.0 112.06 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.41 -47.64 72.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.231 0.612 . . . . 0.0 111.145 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.11 -39.49 86.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.806 0.73 . . . . 0.0 111.834 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.44 -34.72 74.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.803 1.241 . . . . 0.0 113.28 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.7 mtm -78.99 -46.77 17.54 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.774 0.829 . . . . 0.0 111.555 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.24 -50.39 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.278 1.031 . . . . 0.0 111.23 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -21.78 65.96 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.718 1.144 . . . . 0.0 113.264 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.21 -47.95 46.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.66 0.784 . . . . 0.0 111.076 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.43 -31.97 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.836 0.744 . . . . 0.0 112.782 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.25 5.07 11.12 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.708 1.203 . . . . 0.0 113.611 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.21 -21.01 66.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.499 0.72 . . . . 0.0 112.391 167.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.15 -21.03 61.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.042 1.737 . . . . 0.0 113.152 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.15 72.62 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.233 1.397 . . . . 0.0 116.093 170.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -81.96 -11.81 58.68 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.484 1.642 . . . . 0.0 115.012 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.95 6.24 88.77 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 124.371 0.986 . . . . 0.0 115.532 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -128.74 163.63 24.72 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.797 . . . . 0.0 111.172 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.28 129.1 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.92 2.088 . . . . 0.0 108.312 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.24 158.79 16.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.58 1.152 . . . . 0.0 112.709 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 41.6 t80 -56.95 -48.5 97.32 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.851 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -54.09 -43.93 53.92 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.607 2.205 . . . . 0.0 114.286 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.54 -42.82 86.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.914 0.886 . . . . 0.0 112.067 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -56.6 -48.92 76.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.868 1.267 . . . . 0.0 111.246 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.6 -33.18 74.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.668 0.787 . . . . 0.0 112.891 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.0 m -65.92 -50.1 65.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.183 0.993 . . . . 0.0 111.013 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.54 -32.69 71.66 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.675 0.671 . . . . 0.0 112.669 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 46.8 mmm -61.59 -45.25 94.9 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.157 0.89 . . . . 0.0 112.403 171.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.11 92.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.475 1.11 . . . . 0.0 112.028 176.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -61.81 -30.02 70.54 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.088 0.955 . . . . 0.0 112.412 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -69.61 -21.87 63.54 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.062 -1.024 . . . . 0.0 113.744 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mmt -86.02 -7.5 58.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.75 1.22 . . . . 0.0 113.964 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -67.22 123.04 19.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.889 0.876 . . . . 0.0 113.214 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -149.4 70.3 1.07 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.085 2.154 . . . . 0.0 108.695 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.0 t -155.22 148.48 24.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.121 1.369 . . . . 0.0 111.266 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.84 172.03 9.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.618 1.967 . . . . 0.0 112.777 167.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 p -146.43 163.06 36.86 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.286 1.434 . . . . 0.0 111.31 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.56 -37.76 65.85 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.549 -0.719 . . . . 0.0 112.444 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.22 -42.69 79.4 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.557 0.743 . . . . 0.0 111.703 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.87 -42.22 90.63 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.44 -0.787 . . . . 0.0 110.953 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.8 mt -65.37 -43.73 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.744 0.818 . . . . 0.0 110.361 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -60.41 -43.47 96.68 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.528 0.604 . . . . 0.0 111.924 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.09 -34.55 78.29 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.311 0.505 . . . . 0.0 112.333 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.05 97.4 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.407 -0.808 . . . . 0.0 111.554 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -68.21 -35.29 77.75 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -63.03 -38.19 90.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.209 1.004 . . . . 0.0 111.851 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.2 t -57.89 -31.61 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.037 0.935 . . . . 0.0 111.943 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.31 -3.72 53.0 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -90.2 104.12 16.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.66 1.184 . . . . 0.0 109.699 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -76.27 -13.94 60.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.426 1.09 . . . . 0.0 113.37 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -112.22 -23.06 10.62 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.314 1.446 . . . . 0.0 113.433 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.98 18.3 75.18 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.623 1.106 . . . . 0.0 112.932 -171.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.92 -17.78 58.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.835 1.654 . . . . 0.0 114.642 -171.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.04 69.87 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.92 1.248 . . . . 0.0 113.505 -172.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -136.86 149.12 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.035 1.734 . . . . 0.0 112.047 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 pt -133.53 161.78 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.292 1.437 . . . . 0.0 111.145 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -76.21 141.8 41.68 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.881 -1.137 . . . . 0.0 111.962 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.7 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.503 -0.748 . . . . 0.0 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.39 80.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.574 0.749 . . . . 0.0 112.32 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.3 -49.1 68.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.862 0.865 . . . . 0.0 110.753 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -39.53 85.4 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 0.894 . . . . 0.0 111.903 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -62.52 -41.86 99.13 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.702 -0.624 . . . . 0.0 111.565 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -72.75 -43.05 63.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.219 1.007 . . . . 0.0 113.343 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -23.72 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.476 -1.39 . . . . 0.0 113.079 -173.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.6 mmt -81.08 -18.05 47.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.986 1.714 . . . . 0.0 114.071 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -115.65 -12.64 11.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.112 1.365 . . . . 0.0 113.695 -175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -101.17 -33.61 10.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.546 1.138 . . . . 0.0 114.046 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.9 mt -112.72 150.91 30.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.337 1.455 . . . . 0.0 112.419 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.69 -151.82 50.68 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.665 1.126 . . . . 0.0 113.475 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.15 142.48 50.71 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 160.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -93.43 138.77 31.42 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -167.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.52 153.06 25.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.029 0.931 . . . . 0.0 110.693 167.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -77.34 153.41 33.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.577 1.151 . . . . 0.0 112.128 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.53 -38.5 87.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.05 -29.44 67.58 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.68 0.792 . . . . 0.0 112.727 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.86 -47.1 9.99 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.575 1.15 . . . . 0.0 110.805 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.18 -32.89 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.89 1.223 . . . . 0.0 112.596 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.61 -36.3 83.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.207 -0.933 . . . . 0.0 112.116 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.93 -37.34 62.05 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.844 0.858 . . . . 0.0 111.566 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 54.8 ttm -53.97 -45.05 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.112 0.965 . . . . 0.0 111.325 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.8 mm -67.58 -51.36 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 122.999 0.52 . . . . 0.0 110.871 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -54.8 -42.9 72.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.709 0.804 . . . . 0.0 112.718 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -84.27 -11.22 56.81 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.4 -39.08 10.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.213 1.005 . . . . 0.0 112.649 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.15 -29.93 71.02 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.54 1.536 . . . . 0.0 113.122 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 pt -69.03 -17.52 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.566 1.146 . . . . 0.0 113.613 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.88 -7.1 19.61 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.032 1.733 . . . . 0.0 113.005 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -101.42 -149.39 22.71 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 127.01 2.243 . . . . 0.0 113.068 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -158.5 55.84 0.45 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.83 1.252 . . . . 0.0 110.968 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.93 -42.69 2.53 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.184 1.373 . . . . 0.0 112.139 -170.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -84.53 151.35 24.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 109.84 161.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.6 t -85.16 124.48 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.116 1.766 . . . . 0.0 110.018 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -80.62 67.39 6.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.555 1.542 . . . . 0.0 111.018 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -61.99 -31.32 71.67 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.6 -29.07 69.8 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.74 -42.11 18.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.634 0.774 . . . . 0.0 111.304 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.76 -31.43 70.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.901 0.88 . . . . 0.0 113.1 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 t -44.29 -50.34 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.138 1.375 . . . . 0.0 111.564 166.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -86.07 -30.86 22.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.693 0.797 . . . . 0.0 111.876 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.9 mtm -65.66 -24.23 66.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.691 0.678 . . . . 0.0 112.656 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.3 mtm -75.68 -44.27 43.16 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.658 0.783 . . . . 0.0 113.04 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.2 p -77.07 -28.49 54.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.767 0.827 . . . . 0.0 113.067 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.89 170.76 11.36 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.457 1.503 . . . . 0.0 113.194 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 127.359 2.263 . . . . 0.0 109.874 172.507 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 119.636 -0.535 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.03 164.7 32.79 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.73 2.953 . . . . 0.0 111.871 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 89.73 -16.74 55.87 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 114.938 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.3 m -66.41 -33.12 74.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.512 1.156 . . . . 0.0 111.235 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.6 -40.08 74.69 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.271 1.828 . . . . 0.0 112.665 173.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.98 -40.89 87.53 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.115 0.966 . . . . 0.0 112.276 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.1 m -81.38 -31.56 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.548 0.739 . . . . 0.0 112.767 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 71.4 m -61.56 -41.79 97.91 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.261 0.937 . . . . 0.0 111.789 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.64 58.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.503 1.121 . . . . 0.0 113.548 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -83.41 -21.29 33.04 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.6 t -76.46 -43.46 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.915 1.234 . . . . 0.0 111.247 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.97 -47.85 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 122.58 0.352 . . . . 0.0 110.767 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.18 -28.33 67.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.297 -0.859 . . . . 0.0 113.02 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.333 1.424 . . . . 0.0 111.466 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.04 76.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.758 0.823 . . . . 0.0 112.114 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -68.02 -40.83 82.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.233 0.613 . . . . 0.0 112.531 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.67 -45.8 90.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.371 1.068 . . . . 0.0 111.136 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -62.29 -41.48 98.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.17 -46.77 89.15 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.528 -0.732 . . . . 0.0 112.207 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.99 -34.82 75.91 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.196 -0.94 . . . . 0.0 112.893 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.724 0.81 . . . . 0.0 110.979 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -70.32 -13.8 62.31 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -86.92 -37.99 17.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.938 1.244 . . . . 0.0 111.953 164.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 70.6 m -81.86 -49.78 9.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -167.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 60.88 -64.27 0.06 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 129.318 3.047 . . . . 0.0 114.011 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.44 -46.99 87.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.478 1.911 . . . . 0.0 112.233 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -92.34 129.94 38.15 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.384 1.073 . . . . 0.0 109.51 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -166.54 177.33 6.72 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.082 1.353 . . . . 0.0 112.311 -166.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 78.6 p -135.59 159.91 40.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.902 1.681 . . . . 0.0 111.771 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.04 18.97 21.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.451 1.1 . . . . 0.0 113.834 -165.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.808 2.043 . . . . 0.0 113.776 -173.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.774 0.321 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.29 23.87 0.63 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.664 1.586 . . . . 0.0 113.02 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -147.17 155.84 42.47 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.555 1.542 . . . . 0.0 110.492 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.38 140.19 22.73 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.873 1.269 . . . . 0.0 112.852 173.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -111.02 160.21 17.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.7 -34.43 74.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.177 0.991 . . . . 0.0 112.714 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.25 -22.47 63.84 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.95 -44.92 14.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.141 0.977 . . . . 0.0 110.463 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.67 -32.6 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.417 1.487 . . . . 0.0 111.874 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.27 67.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 113.444 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -88.95 -41.88 12.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.372 1.069 . . . . 0.0 111.443 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -65.96 -29.26 69.62 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.633 -0.667 . . . . 0.0 112.73 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.1 tppt? -51.91 -44.36 63.79 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 112.231 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.92 -36.13 79.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.915 0.886 . . . . 0.0 111.815 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.98 -42.06 40.44 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.25 0.477 . . . . 0.0 112.016 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.83 -43.45 98.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.238 1.015 . . . . 0.0 112.361 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -69.13 -15.12 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -26.86 59.78 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.896 1.226 . . . . 0.0 111.767 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -95.0 -2.83 49.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.011 1.724 . . . . 0.0 113.38 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -79.27 69.95 5.58 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.415 1.886 . . . . 0.0 110.448 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.16 -29.87 70.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.875 1.27 . . . . 0.0 113.382 -174.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.55 -19.44 38.56 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.946 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 3.31 90.61 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.007 1.289 . . . . 0.0 114.927 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -89.23 -9.61 50.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.363 1.465 . . . . 0.0 113.478 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.81 27.46 9.59 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.006 1.288 . . . . 0.0 113.555 -176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -130.73 137.44 49.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.278 1.431 . . . . 0.0 111.256 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -100.22 159.13 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.366 0.667 . . . . 0.0 110.289 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -75.15 150.4 38.75 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.296 1.038 . . . . 0.0 112.371 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.57 -25.5 66.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.234 1.014 . . . . 0.0 113.385 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.87 -6.61 58.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.812 1.245 . . . . 0.0 113.433 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.03 -47.49 85.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.381 0.991 . . . . 0.0 110.816 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.98 -27.98 72.1 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.848 -0.532 . . . . 0.0 112.944 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -74.14 -49.9 21.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.184 0.994 . . . . 0.0 110.833 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.79 -32.82 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.295 0.952 . . . . 0.0 111.829 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -57.47 -51.86 67.73 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.094 0.861 . . . . 0.0 111.209 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -62.32 -40.22 95.62 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.086 0.954 . . . . 0.0 112.768 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -65.46 -26.33 67.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.956 -1.09 . . . . 0.0 113.442 175.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -92.7 12.66 22.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 0.0 112.973 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.74 78.62 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.796 1.189 . . . . 0.0 115.0 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -81.65 146.31 30.12 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.608 1.204 . . . . 0.0 109.693 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -122.16 36.91 0.29 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -67.99 150.71 78.02 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.258 1.972 . . . . 0.0 110.997 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -73.62 167.95 20.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.754 1.222 . . . . 0.0 111.423 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.11 -38.36 68.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.763 0.825 . . . . 0.0 111.844 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.143 0.977 . . . . 0.0 112.389 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.3 -33.89 73.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.713 0.805 . . . . 0.0 111.736 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -50.9 68.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.809 0.844 . . . . 0.0 110.814 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -62.95 -37.42 86.98 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.391 0.542 . . . . 0.0 112.039 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.59 -31.5 68.1 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.889 1.276 . . . . 0.0 113.438 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -82.74 -43.54 16.67 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.621 0.768 . . . . 0.0 111.547 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.4 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.178 0.991 . . . . 0.0 110.78 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -20.82 66.22 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -79.55 -48.29 14.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.417 1.087 . . . . 0.0 111.152 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.64 -30.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.346 0.976 . . . . 0.0 113.438 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.15 25.93 7.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.221 1.408 . . . . 0.0 112.835 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.26 63.51 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.634 1.173 . . . . 0.0 114.008 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.6 -7.37 58.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.166 1.387 . . . . 0.0 113.976 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.95 28.7 44.8 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.787 1.184 . . . . 0.0 114.697 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.25 -36.71 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.604 1.161 . . . . 0.0 112.686 -176.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.99 5.56 89.63 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.484 1.516 . . . . 0.0 113.527 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -143.67 159.12 43.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.431 1.892 . . . . 0.0 112.208 -170.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mt -129.91 127.46 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.852 1.661 . . . . 0.0 109.371 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -84.65 153.76 22.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.656 1.583 . . . . 0.0 111.589 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 23.3 t80 -51.15 -53.02 53.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -171.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.49 -28.75 53.58 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.326 2.018 . . . . 0.0 113.216 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -73.14 -37.34 66.65 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.926 0.89 . . . . 0.0 111.838 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -61.76 -44.72 96.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.402 1.081 . . . . 0.0 111.264 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.2 -23.68 67.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -57.76 -38.02 74.67 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.343 0.974 . . . . 0.0 111.539 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.0 mtt -66.06 -31.9 73.05 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.795 -0.566 . . . . 0.0 112.348 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -81.94 -37.8 26.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.894 1.278 . . . . 0.0 112.199 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.27 -39.38 72.55 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.069 1.348 . . . . 0.0 111.948 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.84 -31.68 72.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.427 1.491 . . . . 0.0 113.434 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -76.11 -37.35 58.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.999 -1.063 . . . . 0.0 112.223 175.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.6 mmt -90.35 -0.8 57.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.959 1.304 . . . . 0.0 114.388 -172.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -56.55 134.75 54.5 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.675 1.19 . . . . 0.0 112.341 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.18 21.89 2.25 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.597 1.959 . . . . 0.0 113.78 -170.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -73.31 157.04 37.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.105 1.362 . . . . 0.0 112.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.89 162.72 18.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.7 2.0 . . . . 0.0 113.816 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 p -152.21 158.08 42.37 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -60.34 -22.12 62.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.988 1.715 . . . . 0.0 113.021 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.86 -33.56 14.89 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.56 1.544 . . . . 0.0 112.164 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.54 -41.73 75.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.689 0.795 . . . . 0.0 111.447 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.36 -26.84 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.495 0.718 . . . . 0.0 111.21 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -57.34 -37.99 73.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.785 1.234 . . . . 0.0 113.901 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.6 -35.7 78.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.845 0.858 . . . . 0.0 112.049 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.32 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.536 0.734 . . . . 0.0 111.839 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.16 -38.86 78.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.843 -0.535 . . . . 0.0 112.027 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -65.03 -32.46 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.88 -23.67 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.303 1.41 . . . . 0.0 113.363 172.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -89.54 -9.47 49.8 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.025 0.93 . . . . 0.0 112.991 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -78.94 130.48 35.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.7 1.6 . . . . 0.0 109.865 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.22 -13.24 60.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.4 -17.08 0.48 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.7 41.69 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.735 1.16 . . . . 0.0 112.474 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.27 -18.51 61.21 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.748 1.619 . . . . 0.0 114.243 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.05 50.17 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 125.241 1.401 . . . . 0.0 113.578 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.02 149.52 46.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.039 1.336 . . . . 0.0 113.805 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -138.52 158.91 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 126.803 2.041 . . . . 0.0 109.787 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 t -70.07 140.95 52.86 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.08 -1.012 . . . . 0.0 112.122 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.14 75.27 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.434 -0.791 . . . . 0.0 112.344 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.73 75.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.428 0.691 . . . . 0.0 111.177 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.45 -44.95 93.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.476 0.71 . . . . 0.0 110.722 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.04 -41.74 88.6 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.972 0.806 . . . . 0.0 111.483 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -64.36 -41.54 96.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.841 0.746 . . . . 0.0 112.056 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -72.98 -46.41 52.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.126 0.97 . . . . 0.0 113.007 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.27 -26.84 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.323 -1.486 . . . . 0.0 111.946 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.5 mmt -74.54 -16.65 60.82 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.4 p -109.2 -24.64 11.03 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.564 1.074 . . . . 0.0 112.649 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -91.21 -42.39 10.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.21 137.34 34.41 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.771 1.228 . . . . 0.0 110.872 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.24 -153.71 51.16 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.682 1.134 . . . . 0.0 113.403 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.36 163.02 19.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.474 0.71 . . . . 0.0 111.288 165.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.95 135.71 33.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.72 -1.238 . . . . 0.0 113.624 -172.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 tp -91.01 132.09 36.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 108.613 160.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -70.48 156.46 39.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.168 0.987 . . . . 0.0 110.42 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.36 -43.66 79.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.581 0.752 . . . . 0.0 111.703 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.25 -23.51 65.7 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.545 1.138 . . . . 0.0 113.354 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -83.72 -56.41 3.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.867 1.267 . . . . 0.0 109.907 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.02 -35.68 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.561 -0.712 . . . . 0.0 112.157 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -67.15 -30.68 70.73 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.418 1.008 . . . . 0.0 111.539 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.83 -36.11 42.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.206 1.002 . . . . 0.0 111.896 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttm -55.33 -44.62 76.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.737 0.815 . . . . 0.0 110.909 168.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.2 mm -70.3 -42.74 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.401 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -54.21 -41.74 68.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.44 1.018 . . . . 0.0 112.837 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.82 -5.46 59.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.34 -45.16 6.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 112.581 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.58 -27.25 68.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.861 1.664 . . . . 0.0 113.575 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.2 pt -70.56 -12.97 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 113.739 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -116.34 -43.64 2.93 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.358 1.463 . . . . 0.0 112.433 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -110.99 111.67 3.04 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.334 1.445 . . . . 0.0 111.714 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.34 107.8 11.22 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.337 1.055 . . . . 0.0 111.23 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.66 -48.2 2.57 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.614 1.578 . . . . 0.0 113.76 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -99.07 131.26 45.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.227 1.411 . . . . 0.0 110.186 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.8 124.47 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.292 1.837 . . . . 0.0 108.836 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -78.63 92.71 4.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 163.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -68.38 -26.35 65.53 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.296 -0.878 . . . . 0.0 113.117 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.513 0.725 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.49 -35.21 18.33 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.54 0.736 . . . . 0.0 112.312 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.9 -43.32 98.69 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.284 -0.885 . . . . 0.0 112.516 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -34.08 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.134 0.574 . . . . 0.0 112.351 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.01 -36.38 79.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.597 0.759 . . . . 0.0 110.948 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.4 mtm -69.95 -47.09 63.74 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -79.7 -19.34 49.17 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.9 p -75.63 -19.96 58.84 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 119.807 1.185 . . . . 0.0 112.768 170.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.3 -171.27 2.9 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.79 1.636 . . . . 0.0 112.294 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.356 1.862 . . . . 0.0 110.627 178.019 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 CA-C-O 119.546 -0.586 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.74 163.66 37.81 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.018 3.146 . . . . 0.0 111.589 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -80.99 126.02 7.17 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.607 0.622 . . . . 0.0 111.598 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 38.8 m -67.55 -33.71 75.59 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.082 0.953 . . . . 0.0 111.51 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -54.22 -39.84 67.11 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.973 2.109 . . . . 0.0 112.278 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.15 78.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.468 1.107 . . . . 0.0 111.276 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.3 m -81.72 -26.85 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.018 0.927 . . . . 0.0 112.543 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 41.7 m -64.64 -46.16 83.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.013 0.925 . . . . 0.0 112.537 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.98 -39.83 59.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.562 0.745 . . . . 0.0 112.349 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.1 mtm -66.71 -20.07 65.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.388 1.075 . . . . 0.0 113.861 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.0 t -73.24 -35.96 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.69 1.132 . . . . 0.0 111.121 176.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.64 -39.33 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.937 0.895 . . . . 0.0 110.058 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.92 -49.1 76.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.035 0.934 . . . . 0.0 112.006 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -64.25 -33.73 76.48 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.051 0.841 . . . . 0.0 112.942 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.82 70.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.866 0.866 . . . . 0.0 111.442 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.73 -38.95 93.03 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.626 0.771 . . . . 0.0 112.28 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.25 -38.25 81.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.626 0.771 . . . . 0.0 112.894 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -66.33 -36.88 84.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.871 0.869 . . . . 0.0 111.69 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.74 0.816 . . . . 0.0 111.51 170.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.24 -39.46 86.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.826 0.85 . . . . 0.0 113.27 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.24 -41.54 75.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -83.38 -28.69 28.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.74 0.816 . . . . 0.0 112.876 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.26 -37.99 25.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.112 1.365 . . . . 0.0 113.196 -176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.9 m -98.07 -15.36 20.03 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 69.43 -55.19 0.58 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.261 3.425 . . . . 0.0 112.175 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -75.38 145.51 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.448 1.099 . . . . 0.0 110.553 166.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -162.95 152.6 15.55 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.876 1.271 . . . . 0.0 111.284 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -61.19 140.87 57.83 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.742 0.817 . . . . 0.0 111.929 173.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 38.2 m 70.99 -22.98 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 127.487 2.315 . . . . 0.0 114.469 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 88.9 t80 -78.41 -43.01 28.51 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.407 1.483 . . . . 0.0 111.559 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.864 1.666 . . . . 0.0 110.57 174.482 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.531 0.205 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.9 1.86 3.06 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.546 1.538 . . . . 0.0 113.985 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -142.76 -179.26 6.22 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.842 1.657 . . . . 0.0 111.541 -172.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.96 141.16 50.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.508 1.923 . . . . 0.0 113.008 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -108.17 160.02 16.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.255 1.022 . . . . 0.0 112.55 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.97 -35.02 72.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.802 0.841 . . . . 0.0 112.931 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.08 -21.59 63.13 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -82.45 -45.64 14.5 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.347 -0.846 . . . . 0.0 110.448 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -55.84 -37.68 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.253 1.421 . . . . 0.0 111.636 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -25.35 68.34 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.037 . . . . 0.0 113.612 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.23 -43.29 10.5 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.284 1.034 . . . . 0.0 111.186 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.75 -26.97 68.89 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.16 -37.87 75.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.462 0.705 . . . . 0.0 112.422 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.46 -40.38 81.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.286 0.634 . . . . 0.0 111.448 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.17 74.89 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.982 0.513 . . . . 0.0 112.326 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.53 -39.03 88.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.85 0.86 . . . . 0.0 111.763 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.6 t -65.79 -26.65 67.79 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -23.03 61.44 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.866 -1.146 . . . . 0.0 112.421 178.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -94.76 -6.5 42.89 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.415 1.886 . . . . 0.0 113.407 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.98 71.17 9.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.363 1.465 . . . . 0.0 109.96 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.21 -22.21 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.73 -21.61 37.83 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 9.39 86.82 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.802 1.191 . . . . 0.0 114.181 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.2 -10.34 50.12 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.721 1.608 . . . . 0.0 113.478 -174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.84 19.44 31.5 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.139 1.352 . . . . 0.0 113.92 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -131.92 158.65 40.84 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.798 1.639 . . . . 0.0 111.518 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -120.98 161.82 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.639 1.176 . . . . 0.0 110.755 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 p -80.41 155.43 27.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.665 0.786 . . . . 0.0 111.29 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -61.4 -30.03 70.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 0.0 112.326 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.54 -34.02 77.28 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.35 1.06 . . . . 0.0 113.25 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -88.27 -9.95 51.23 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.342 1.057 . . . . 0.0 113.481 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.55 -48.01 72.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.765 0.826 . . . . 0.0 111.239 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -24.9 67.86 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.005 0.812 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -76.03 -42.71 47.02 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.324 1.45 . . . . 0.0 110.959 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.29 -39.61 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.015 0.825 . . . . 0.0 111.055 172.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.1 mmt -58.28 -55.12 39.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.827 0.851 . . . . 0.0 111.725 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -67.08 -28.54 68.27 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -67.51 -25.84 66.05 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.22 7.28 46.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.714 2.005 . . . . 0.0 112.923 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.72 8.0 85.15 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.14 1.352 . . . . 0.0 115.319 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -92.49 123.48 35.83 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.018 1.409 . . . . 0.0 109.278 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.48 81.94 18.57 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.971 0.908 . . . . 0.0 111.307 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.53 160.49 38.36 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.392 2.728 . . . . 0.0 111.496 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -73.3 169.13 17.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.786 0.834 . . . . 0.0 110.381 163.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.57 -36.73 72.08 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.695 -0.628 . . . . 0.0 111.91 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.74 59.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.055 0.942 . . . . 0.0 112.249 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -31.13 69.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.871 0.868 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.63 -49.14 67.23 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.73 -36.54 81.27 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.357 0.663 . . . . 0.0 112.059 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.63 -37.11 82.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.926 1.291 . . . . 0.0 113.315 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.8 mtm -72.58 -43.4 63.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.517 0.599 . . . . 0.0 111.29 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.72 -58.88 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.942 0.897 . . . . 0.0 111.181 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -64.84 -18.21 64.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.918 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.81 -28.57 62.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.63 1.172 . . . . 0.0 112.706 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 m -102.49 -30.45 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.44 1.018 . . . . 0.0 113.542 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -91.21 26.71 2.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.917 1.687 . . . . 0.0 112.191 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.28 -23.28 66.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.839 1.256 . . . . 0.0 113.746 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.54 -9.59 59.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.188 1.395 . . . . 0.0 113.676 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.2 16.85 70.78 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.843 1.211 . . . . 0.0 115.166 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.84 -27.22 65.64 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.844 1.322 . . . . 0.0 114.246 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.89 7.6 87.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.209 1.385 . . . . 0.0 113.461 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -140.17 154.9 47.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.585 1.954 . . . . 0.0 110.824 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.9 mt -121.94 130.24 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.802 1.641 . . . . 0.0 108.696 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -92.99 153.37 18.78 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.268 1.427 . . . . 0.0 110.631 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.72 -49.29 84.06 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.93 -23.59 54.35 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.267 1.978 . . . . 0.0 113.863 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.99 -43.4 44.62 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.75 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -39.26 73.21 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.331 1.052 . . . . 0.0 111.685 168.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.62 -25.56 63.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.09 -1.006 . . . . 0.0 113.58 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.6 m -66.55 -44.34 82.61 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.63 1.105 . . . . 0.0 111.243 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -71.61 -13.1 61.66 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -82.67 -48.02 11.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.325 1.05 . . . . 0.0 110.476 169.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.65 80.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.439 1.496 . . . . 0.0 113.688 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -70.33 -19.1 63.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -74.81 -31.95 61.84 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 44.4 mtt -96.48 3.03 53.01 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -162.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -60.51 142.26 55.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.619 1.168 . . . . 0.0 114.067 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.45 -8.86 28.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.001 1.32 . . . . 0.0 113.56 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -83.1 -179.17 7.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.93 1.692 . . . . 0.0 113.001 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -150.3 158.1 43.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.941 2.496 . . . . 0.0 109.835 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 t -77.46 118.45 19.91 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.457 -0.777 . . . . 0.0 111.933 -170.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.98 -28.65 69.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.342 0.657 . . . . 0.0 112.037 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.24 -46.66 73.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.444 0.698 . . . . 0.0 110.635 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.28 -41.12 96.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.024 0.53 . . . . 0.0 111.1 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.41 -42.27 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.417 1.087 . . . . 0.0 111.353 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -74.79 -43.3 55.45 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.939 0.791 . . . . 0.0 112.335 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.99 -20.43 65.88 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.809 -1.182 . . . . 0.0 113.177 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.95 -19.67 65.3 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 171.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -85.13 -27.51 26.17 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.425 1.012 . . . . 0.0 113.3 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -69.31 -26.19 64.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.7 -14.52 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 169.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.03 7.89 30.05 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.814 1.646 . . . . 0.0 112.812 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -154.3 65.95 0.7 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.735 2.014 . . . . 0.0 109.886 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.15 -11.94 61.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -172.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -76.3 -17.63 59.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.272 1.429 . . . . 0.0 112.7 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 22.16 72.19 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.701 1.143 . . . . 0.0 114.421 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.46 -28.17 67.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.862 1.265 . . . . 0.0 114.063 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 4.91 61.32 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.42 1.486 . . . . 0.0 113.938 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -134.03 150.59 51.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.049 1.339 . . . . 0.0 113.288 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 pt -140.92 156.06 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.469 1.908 . . . . 0.0 110.356 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m -74.21 143.61 45.08 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.477 -0.764 . . . . 0.0 112.005 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.12 79.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.622 -0.673 . . . . 0.0 112.35 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.81 76.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.392 1.077 . . . . 0.0 113.009 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.4 -48.1 57.72 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.725 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 tp -58.59 -47.49 84.11 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.718 -0.614 . . . . 0.0 110.882 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.7 ttp-105 -56.58 -39.51 73.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.242 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.54 -45.24 84.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.421 -0.8 . . . . 0.0 112.73 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -54.91 -51.0 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.365 1.438 . . . . 0.0 110.13 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -20.37 65.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.0 p -114.39 -14.39 12.2 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -107.09 -51.68 2.88 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.573 1.079 . . . . 0.0 112.955 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -88.0 143.81 26.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.687 1.195 . . . . 0.0 112.293 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.06 -157.14 46.83 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.321 1.439 . . . . 0.0 113.511 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.52 146.38 50.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.178 0.591 . . . . 0.0 109.952 162.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -91.29 148.34 22.41 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.3 tp -88.24 140.33 29.59 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.92 1.288 . . . . 0.0 109.275 166.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -70.45 155.89 40.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.247 1.019 . . . . 0.0 110.792 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.55 -40.44 68.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.746 1.218 . . . . 0.0 113.074 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.21 -39.45 68.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.752 0.821 . . . . 0.0 112.075 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -66.85 -46.47 74.96 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.063 1.345 . . . . 0.0 110.917 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.16 -32.79 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.371 0.987 . . . . 0.0 112.086 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.28 -43.85 89.85 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 171.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.85 -38.79 92.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.914 0.886 . . . . 0.0 111.662 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttm -58.68 -52.52 65.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.641 0.776 . . . . 0.0 111.081 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.0 mm -65.42 -40.09 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -54.48 -44.09 72.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.141 0.976 . . . . 0.0 112.057 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.84 -24.12 41.52 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.44 -43.15 9.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.35 -26.28 63.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.791 1.236 . . . . 0.0 113.655 -172.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.82 -10.57 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.91 -19.5 60.11 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.207 1.003 . . . . 0.0 113.008 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -149.24 -132.03 2.04 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.533 1.54 . . . . 0.0 112.384 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -153.94 105.28 2.73 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.15 1.38 . . . . 0.0 110.312 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.95 -8.84 34.78 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.775 1.655 . . . . 0.0 114.661 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -122.33 143.66 49.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.991 1.716 . . . . 0.0 111.1 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.37 126.68 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.52 1.928 . . . . 0.0 108.489 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.02 100.72 9.89 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 160.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -71.53 -26.27 62.58 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.08 -54.9 41.82 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 111.619 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.65 -23.38 59.85 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.763 -0.586 . . . . 0.0 112.347 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.17 -38.43 91.16 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.148 -0.97 . . . . 0.0 111.838 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.87 -40.84 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.906 0.775 . . . . 0.0 111.723 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.9 -32.46 73.98 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.617 0.644 . . . . 0.0 111.701 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.4 mtm -70.71 -39.66 73.31 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.352 -0.843 . . . . 0.0 112.35 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.34 -35.44 79.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.7 p -74.37 -23.02 58.93 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.012 0.824 . . . . 0.0 112.341 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.29 -178.25 5.58 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.636 1.574 . . . . 0.0 112.879 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.336 1.854 . . . . 0.0 109.92 171.065 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.36 159.88 45.89 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.526 3.484 . . . . 0.0 111.986 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.6 17.35 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.542 1.544 . . . . 0.0 113.109 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 51.0 m -68.52 -33.99 75.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 111.142 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -54.02 -43.55 70.21 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.217 2.207 . . . . 0.0 111.626 173.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.808 0.843 . . . . 0.0 112.446 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.4 m -86.61 -32.49 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.9 m -62.82 -38.81 92.22 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.387 -0.821 . . . . 0.0 112.181 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.33 14.24 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.439 1.495 . . . . 0.0 114.093 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.6 mtm -85.67 -24.53 27.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.771 1.228 . . . . 0.0 113.525 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 40.3 t -76.0 -30.88 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.106 0.866 . . . . 0.0 111.295 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.84 -42.05 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.883 0.873 . . . . 0.0 110.372 170.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -70.16 -34.24 72.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.069 0.948 . . . . 0.0 111.592 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -61.17 -20.98 63.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.689 1.596 . . . . 0.0 113.421 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.39 8.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.668 1.587 . . . . 0.0 112.468 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -65.59 -45.24 83.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -65.32 -34.87 79.35 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.998 -0.438 . . . . 0.0 111.755 175.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -67.59 -40.71 84.77 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.633 1.573 . . . . 0.0 112.104 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.03 -48.77 80.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.038 1.335 . . . . 0.0 112.298 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.2 mt -58.44 -37.36 75.25 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.538 0.735 . . . . 0.0 112.04 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.42 -32.17 73.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.928 0.891 . . . . 0.0 112.76 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -69.0 -40.24 78.84 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.392 0.996 . . . . 0.0 110.685 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -76.55 -35.32 58.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.869 1.267 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 40.2 m -86.16 -22.87 26.8 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 66.2 -53.21 0.41 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 130.565 3.546 . . . . 0.0 111.929 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.11 143.27 39.31 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.442 1.497 . . . . 0.0 111.808 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -77.49 -28.0 52.09 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -164.7 174.96 10.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.903 2.081 . . . . 0.0 111.058 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 35.2 m -64.19 143.49 57.84 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.831 0.852 . . . . 0.0 112.646 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 85.3 t80 -73.32 -32.36 64.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.952 0.901 . . . . 0.0 112.866 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 C--O 1.251 1.135 0 C-N-CA 126.573 1.949 . . . . 0.0 111.241 -175.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -134.35 -1.99 2.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.327 1.451 . . . . 0.0 113.754 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -160.27 124.75 3.75 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.935 1.294 . . . . 0.0 110.501 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.61 155.61 25.63 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.717 1.207 . . . . 0.0 113.068 168.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -89.7 156.91 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 111.793 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -57.75 -36.88 72.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.001 0.921 . . . . 0.0 112.384 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.7 -21.86 62.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.065 0.946 . . . . 0.0 113.449 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -82.28 -44.77 15.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.963 0.802 . . . . 0.0 110.328 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.25 -38.2 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.32 1.048 . . . . 0.0 111.775 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.78 67.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.201 1.0 . . . . 0.0 113.196 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.19 -44.69 11.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.805 0.842 . . . . 0.0 111.39 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -66.97 -27.17 67.24 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.629 -0.67 . . . . 0.0 112.523 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.87 -41.13 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.127 0.971 . . . . 0.0 112.815 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.64 -40.87 84.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.594 0.758 . . . . 0.0 111.704 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.78 82.28 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.767 -0.583 . . . . 0.0 112.557 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.01 -36.32 82.96 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.781 0.832 . . . . 0.0 111.799 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 t -61.23 -32.25 72.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -19.45 60.5 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.022 -1.049 . . . . 0.0 113.387 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.54 -13.57 21.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.455 1.502 . . . . 0.0 112.993 173.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.96 62.19 1.59 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.172 1.789 . . . . 0.0 110.435 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.59 -16.3 61.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.458 1.503 . . . . 0.0 113.28 -171.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.67 -20.92 35.26 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.644 1.578 . . . . 0.0 113.311 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 8.72 86.97 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.658 1.599 . . . . 0.0 114.463 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.04 -11.28 39.26 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.474 1.509 . . . . 0.0 113.67 -172.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 23.44 16.54 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.17 1.366 . . . . 0.0 113.877 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -135.07 144.16 47.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.909 1.684 . . . . 0.0 111.706 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -105.84 160.99 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.34 1.056 . . . . 0.0 109.724 165.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -78.02 154.43 31.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.158 0.435 . . . . 0.0 110.398 163.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -58.09 -30.63 66.39 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.367 1.067 . . . . 0.0 112.488 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.68 -32.5 74.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.813 1.245 . . . . 0.0 113.199 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.43 -8.9 58.15 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.826 0.85 . . . . 0.0 112.76 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.7 -48.35 81.17 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.52 -1.362 . . . . 0.0 112.022 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.21 63.3 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 118.941 -0.922 . . . . 0.0 112.691 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -81.55 -43.28 18.95 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.969 1.708 . . . . 0.0 111.481 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.54 -33.54 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.385 1.448 . . . . 0.0 111.876 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.2 mtp -68.83 -31.43 70.4 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.68 -0.637 . . . . 0.0 112.406 173.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -74.22 -34.76 63.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.247 -0.908 . . . . 0.0 112.501 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -66.06 -28.75 69.08 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.352 -0.842 . . . . 0.0 112.724 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.78 0.41 54.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.611 1.564 . . . . 0.0 112.995 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.34 12.09 82.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.392 1.472 . . . . 0.0 115.51 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.31 -37.88 31.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.799 1.299 . . . . 0.0 111.85 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 55.67 56.49 10.19 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 126.273 1.829 . . . . 0.0 112.614 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.34 141.12 46.02 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.8 2.333 . . . . 0.0 111.309 -169.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -63.55 146.6 53.37 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.547 1.139 . . . . 0.0 109.947 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.74 -41.12 90.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.715 0.806 . . . . 0.0 112.8 -170.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.94 84.76 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -69.25 -44.96 70.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.191 0.997 . . . . 0.0 110.753 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.04 -51.79 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.333 1.453 . . . . 0.0 111.367 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.19 -37.42 87.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.005 0.366 . . . . 0.0 111.974 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.51 -31.35 72.02 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.931 -1.106 . . . . 0.0 112.984 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.63 -37.9 70.82 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.335 0.654 . . . . 0.0 111.133 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.61 -45.96 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 109.809 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.48 -29.32 64.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.28 -51.43 37.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.709 0.804 . . . . 0.0 111.054 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.7 -24.09 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -103.02 23.36 12.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.859 1.664 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.0 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -89.31 -4.92 57.93 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.636 1.575 . . . . 0.0 113.875 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.97 25.71 59.49 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.595 1.093 . . . . 0.0 114.496 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -62.2 -34.7 76.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.616 1.166 . . . . 0.0 113.838 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.83 89.32 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 126.149 1.833 . . . . 0.0 113.659 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.0 p -138.25 159.5 41.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.919 1.688 . . . . 0.0 112.48 -170.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.68 127.75 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.505 1.922 . . . . 0.0 107.587 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.02 163.02 17.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.032 0.933 . . . . 0.0 112.428 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -57.21 -51.63 80.2 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-O 116.673 -1.632 . . . . 0.0 114.547 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 -30.72 46.82 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 122.135 1.798 . . . . 0.0 113.486 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.47 -40.44 85.3 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.484 1.493 . . . . 0.0 112.087 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -60.1 -45.69 92.12 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.5 0.72 . . . . 0.0 111.754 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.2 -31.67 72.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.646 0.778 . . . . 0.0 112.86 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -70.91 -31.16 67.7 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -67.52 -49.23 64.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.267 0.939 . . . . 0.0 111.125 166.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mmm -59.67 -40.91 89.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.499 1.12 . . . . 0.0 113.186 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.95 65.04 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.652 1.581 . . . . 0.0 113.714 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -80.15 -21.16 43.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.316 . . . . 0.0 113.437 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -83.51 -36.39 24.12 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.199 -0.938 . . . . 0.0 113.017 172.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.4 mmt -77.26 167.06 22.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.058 1.343 . . . . 0.0 112.382 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -102.35 147.5 26.63 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.871 1.269 . . . . 0.0 111.976 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -96.44 -16.79 21.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.524 1.13 . . . . 0.0 113.773 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -61.87 145.63 52.18 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.087 1.355 . . . . 0.0 112.104 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.68 145.11 55.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.669 1.588 . . . . 0.0 112.422 -175.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.8 m -72.6 125.39 27.35 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -164.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.73 -40.34 79.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.049 1.339 . . . . 0.0 112.76 -170.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.28 -33.26 69.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.458 0.703 . . . . 0.0 112.711 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -71.15 -38.93 72.2 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.598 -0.689 . . . . 0.0 110.532 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.98 -45.07 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.98 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -61.91 -43.94 97.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.616 . . . . 0.0 112.593 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.48 -32.59 74.29 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.26 0.624 . . . . 0.0 112.529 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.51 87.57 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.12 -0.987 . . . . 0.0 111.979 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -69.19 -35.92 76.76 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -69.8 -32.76 71.4 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.394 0.677 . . . . 0.0 112.738 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.91 -31.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.072 -1.018 . . . . 0.0 111.283 168.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.12 9.93 31.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.832 1.253 . . . . 0.0 114.094 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -143.32 66.87 1.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.07 1.748 . . . . 0.0 110.403 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -63.98 -14.09 51.3 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.66 -17.16 52.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.34 1.456 . . . . 0.0 113.162 173.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.32 23.19 76.32 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.423 1.011 . . . . 0.0 113.858 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -68.46 -26.22 65.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.735 1.214 . . . . 0.0 114.128 -175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.18 69.83 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.48 1.514 . . . . 0.0 113.797 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.29 151.61 45.23 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.78 1.632 . . . . 0.0 112.036 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.64 160.58 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.407 1.883 . . . . 0.0 109.601 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -74.01 146.46 43.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.594 -1.316 . . . . 0.0 111.695 173.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.17 84.34 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.978 -1.076 . . . . 0.0 112.238 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.16 73.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.6 0.76 . . . . 0.0 111.619 173.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.51 -46.97 85.99 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.611 1.164 . . . . 0.0 111.154 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.78 96.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.953 0.901 . . . . 0.0 111.03 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -59.15 -42.68 91.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.328 0.513 . . . . 0.0 111.679 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -69.93 -46.34 65.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.956 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -22.34 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.849 -1.157 . . . . 0.0 112.116 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.77 -18.45 54.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.908 2.083 . . . . 0.0 114.559 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.5 p -116.74 13.95 15.22 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.961 1.304 . . . . 0.0 114.232 -172.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -4.12 0.76 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.01 145.12 51.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.395 1.478 . . . . 0.0 111.144 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.38 -79.99 1.03 Allowed Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.5 1.048 . . . . 0.0 111.542 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.59 149.38 27.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.922 2.089 . . . . 0.0 108.257 164.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -74.47 116.13 14.8 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.34 -0.85 . . . . 0.0 111.223 -174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.81 139.51 56.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.803 1.241 . . . . 0.0 110.313 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.5 150.66 48.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.479 1.112 . . . . 0.0 110.734 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.59 -39.18 90.28 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.14 -28.77 67.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.904 0.882 . . . . 0.0 112.831 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.81 -53.34 8.04 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.817 0.847 . . . . 0.0 109.631 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.61 -32.83 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.617 -0.677 . . . . 0.0 112.243 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.86 -36.92 85.52 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.06 -1.025 . . . . 0.0 111.728 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.34 -35.44 63.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.754 0.422 . . . . 0.0 111.638 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.5 ttm -57.52 -39.61 76.94 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 111.688 171.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mm -71.37 -44.65 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.186 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -57.05 -42.79 81.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.884 1.22 . . . . 0.0 111.908 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -74.98 -8.77 57.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.17 -43.3 7.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 112.186 171.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.95 -8.39 36.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 114.21 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 pt -66.63 -18.65 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.03 -1.044 . . . . 0.0 113.684 163.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -122.32 -32.79 3.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.536 1.534 . . . . 0.0 112.77 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.09 179.11 51.92 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.034 1.302 . . . . 0.0 114.267 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -163.23 75.14 0.38 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.629 1.571 . . . . 0.0 110.008 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.55 -45.63 2.68 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 125.256 1.408 . . . . 0.0 112.102 -172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -88.43 133.57 34.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.943 1.297 . . . . 0.0 109.146 160.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.6 t -92.61 125.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 127.266 2.226 . . . . 0.0 108.721 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -77.97 87.91 4.14 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -67.57 -27.28 66.8 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.252 -0.905 . . . . 0.0 113.104 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.59 -44.75 95.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.303 0.641 . . . . 0.0 111.277 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -69.77 -38.52 76.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.395 0.678 . . . . 0.0 111.565 171.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -62.04 -34.75 76.81 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.41 -50.06 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.11 0.868 . . . . 0.0 110.742 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -72.67 -26.95 61.81 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.608 0.763 . . . . 0.0 112.517 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -75.63 -35.23 60.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.668 0.667 . . . . 0.0 112.421 171.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.0 ttp -78.33 -31.92 48.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.591 1.156 . . . . 0.0 113.482 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.1 p -76.0 -8.88 57.99 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -76.88 -176.19 3.81 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.556 1.542 . . . . 0.0 112.646 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? . . . . . 0 C--O 1.254 1.314 0 C-N-CA 126.436 1.894 . . . . 0.0 112.169 178.864 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 CA-C-O 119.075 -0.847 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -56.34 161.19 9.66 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 125.223 3.949 . . . . 0.0 114.318 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -70.37 145.24 40.45 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 123.576 0.608 . . . . 0.0 113.25 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -66.77 -42.63 85.78 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.017 -0.696 . . . . 0.0 110.854 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.1 -40.0 92.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.66 1.584 . . . . 0.0 112.055 171.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.43 -45.59 75.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.569 0.748 . . . . 0.0 111.533 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.9 m -72.19 -30.95 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.907 0.776 . . . . 0.0 112.258 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.6 m -63.2 -44.14 96.17 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.146 -0.971 . . . . 0.0 111.804 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.22 70.81 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.5 mtm -75.86 -47.09 26.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.683 0.793 . . . . 0.0 112.352 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.2 t -62.6 -37.83 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.253 1.021 . . . . 0.0 111.887 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.53 -49.79 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.611 0.641 . . . . 0.0 111.638 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -75.7 -25.81 56.99 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -56.83 -49.75 74.48 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.136 0.975 . . . . 0.0 110.727 169.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.45 94.64 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.799 0.84 . . . . 0.0 112.249 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.36 -41.22 94.05 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.775 0.43 . . . . 0.0 112.026 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.95 -34.25 73.18 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.409 -0.807 . . . . 0.0 112.639 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -60.56 -47.27 86.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.615 1.166 . . . . 0.0 110.616 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.4 -47.96 83.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.407 1.083 . . . . 0.0 112.73 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.63 -46.11 87.81 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.045 0.938 . . . . 0.0 112.497 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.62 1.168 . . . . 0.0 112.025 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -72.87 -22.54 60.76 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -75.95 -41.83 50.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.954 0.902 . . . . 0.0 112.004 170.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 33.8 m -92.28 -26.46 18.13 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 58.84 18.56 6.2 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.102 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.75 -9.83 40.88 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -167.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -74.66 -24.92 58.88 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.08 0.952 . . . . 0.0 113.219 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -79.48 151.72 30.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.09 0.956 . . . . 0.0 112.266 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 41.4 m -78.64 129.09 34.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.811 0.844 . . . . 0.0 111.901 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -96.86 -8.05 31.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.182 0.993 . . . . 0.0 113.265 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.255 1.346 0 C-N-CA 126.083 1.753 . . . . 0.0 112.745 179.305 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -103.55 -9.35 19.33 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.405 1.482 . . . . 0.0 112.787 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -155.03 -171.46 3.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.815 2.446 . . . . 0.0 109.221 -164.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.2 134.88 38.92 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 112.333 175.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -91.62 162.63 14.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.27 -36.52 82.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.53 0.732 . . . . 0.0 112.35 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.89 -26.61 60.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.49 -48.83 53.84 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 118.591 0.632 . . . . 0.0 110.591 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.13 -41.8 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.276 1.03 . . . . 0.0 111.284 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -26.99 68.66 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.48 -45.52 14.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 110.575 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -65.96 -28.07 68.63 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.523 0.729 . . . . 0.0 112.344 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.29 -38.61 66.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 112.504 170.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.67 -27.15 37.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.537 1.135 . . . . 0.0 112.263 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.07 -35.4 59.42 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.408 -0.807 . . . . 0.0 111.923 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -71.89 -38.02 70.05 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.486 1.114 . . . . 0.0 112.675 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -67.76 -26.34 66.07 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.35 -22.13 61.94 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.404 -0.81 . . . . 0.0 113.103 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -96.81 -12.57 23.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.614 1.565 . . . . 0.0 113.109 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.07 58.55 2.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.783 1.633 . . . . 0.0 110.424 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -71.9 -21.51 61.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.666 1.186 . . . . 0.0 113.032 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.33 -19.29 39.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.063 1.345 . . . . 0.0 113.102 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.68 7.3 87.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.852 1.215 . . . . 0.0 115.186 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.91 -13.2 56.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.134 1.374 . . . . 0.0 113.967 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 18.54 32.06 Favored Glycine 0 N--CA 1.473 1.123 0 C-N-CA 125.063 1.316 . . . . 0.0 113.856 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -127.66 155.73 43.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.465 1.906 . . . . 0.0 111.458 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 pt -113.55 160.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 109.675 162.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -78.46 159.6 28.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.303 0.573 . . . . 0.0 111.481 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 p -61.66 -29.92 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.071 0.949 . . . . 0.0 112.474 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -73.15 -32.95 65.21 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.21 -13.72 59.52 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.0 0.92 . . . . 0.0 113.433 175.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.3 -48.37 74.2 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.243 0.929 . . . . 0.0 110.679 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.7 -25.27 71.62 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 121.588 -0.695 . . . . 0.0 113.31 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -79.02 -43.05 25.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.79 1.236 . . . . 0.0 111.437 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.05 -30.94 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.316 0.962 . . . . 0.0 112.111 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -60.92 -49.35 77.8 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.361 0.982 . . . . 0.0 111.52 169.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.59 -35.06 79.25 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.981 0.913 . . . . 0.0 112.69 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.3 m -68.37 -27.54 66.33 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.07 -1.019 . . . . 0.0 113.467 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.6 4.8 48.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.419 1.488 . . . . 0.0 112.881 170.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.4 8.63 80.71 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.489 1.518 . . . . 0.0 115.243 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.51 141.46 28.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.113 1.457 . . . . 0.0 111.346 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -133.54 64.56 68.89 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.207 1.403 . . . . 0.0 113.107 -172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -67.05 161.63 41.8 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.512 2.808 . . . . 0.0 111.3 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.7 p -69.21 165.78 19.74 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.776 0.431 . . . . 0.0 110.892 168.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.33 -36.8 73.94 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.86 -44.83 69.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.008 0.923 . . . . 0.0 112.452 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -65.45 -40.02 92.72 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.69 0.677 . . . . 0.0 111.49 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.03 -49.54 74.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.161 0.984 . . . . 0.0 110.907 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -42.31 91.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.926 0.891 . . . . 0.0 111.59 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.96 -35.51 80.14 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.293 -0.88 . . . . 0.0 113.226 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.04 -36.63 83.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.301 0.955 . . . . 0.0 111.379 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.3 mt -64.56 -49.6 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.796 0.839 . . . . 0.0 109.893 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -57.23 -29.93 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -75.28 -12.14 60.21 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.02 -24.65 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -126.81 54.71 1.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.684 1.594 . . . . 0.0 110.222 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.92 68.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.213 1.405 . . . . 0.0 113.603 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.46 -10.6 58.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.478 1.511 . . . . 0.0 113.675 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.55 40.79 26.5 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.586 1.088 . . . . 0.0 114.321 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -68.41 -25.33 64.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.293 1.047 . . . . 0.0 113.262 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.67 5.2 75.01 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 125.385 1.469 . . . . 0.0 114.19 -177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.0 p -141.24 151.54 43.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.074 1.75 . . . . 0.0 111.859 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.53 128.65 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.443 1.897 . . . . 0.0 108.462 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.87 158.67 18.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 0.0 110.531 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.91 -47.46 86.5 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -172.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.46 -26.8 23.91 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.828 2.046 . . . . 0.0 113.12 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.78 -43.69 71.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.676 1.125 . . . . 0.0 111.028 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -59.21 -38.17 79.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.972 0.909 . . . . 0.0 111.874 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.59 -26.24 61.62 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.064 -1.022 . . . . 0.0 113.473 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -64.21 -48.72 74.77 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.545 1.066 . . . . 0.0 110.608 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -65.88 -19.59 65.93 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.63 -41.31 21.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.327 1.051 . . . . 0.0 112.407 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.71 99.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.192 0.997 . . . . 0.0 112.344 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -53.1 -32.29 46.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.754 1.622 . . . . 0.0 113.706 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -72.09 -19.25 61.84 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.543 1.137 . . . . 0.0 113.48 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.4 mtt -116.07 -10.04 11.61 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -170.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.52 123.15 24.24 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.79 0.836 . . . . 0.0 112.258 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -158.85 26.42 0.22 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 112.973 -173.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 t -76.14 179.04 5.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.785 1.234 . . . . 0.0 113.853 -169.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -170.23 168.3 8.25 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.626 2.77 . . . . 0.0 110.714 -172.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.4 t -156.42 139.75 15.7 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.324 1.05 . . . . 0.0 112.018 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -65.71 -35.45 80.79 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.711 -0.618 . . . . 0.0 112.092 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.46 -27.68 68.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 112.239 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.97 -39.04 79.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.321 1.049 . . . . 0.0 111.377 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -77.62 -37.73 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.79 1.236 . . . . 0.0 110.367 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -61.75 -39.7 92.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -63.86 -34.36 77.76 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.005 0.821 . . . . 0.0 111.999 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.0 92.93 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.521 -0.737 . . . . 0.0 112.176 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -69.68 -36.4 75.97 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.546 -0.721 . . . . 0.0 112.709 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -63.14 -35.07 79.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.003 0.921 . . . . 0.0 111.889 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.7 -39.0 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.0 1.32 . . . . 0.0 111.797 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -80.91 -21.55 40.46 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -71.99 113.37 8.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.189 0.904 . . . . 0.0 110.13 168.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -83.68 -9.12 59.08 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.19 -25.05 5.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.765 1.226 . . . . 0.0 113.407 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.97 19.47 57.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.141 1.353 . . . . 0.0 113.221 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.15 -18.91 61.85 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.209 1.404 . . . . 0.0 113.811 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.06 13.91 56.96 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.658 1.599 . . . . 0.0 113.413 -174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -140.68 152.8 45.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.594 1.558 . . . . 0.0 112.613 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -124.18 164.82 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.748 1.619 . . . . 0.0 109.211 164.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -85.03 153.63 22.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.352 -1.467 . . . . 0.0 111.48 169.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.42 70.55 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.014 -1.054 . . . . 0.0 112.148 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.85 77.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.194 0.998 . . . . 0.0 112.398 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.73 -50.31 74.35 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.604 0.762 . . . . 0.0 110.183 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.35 -43.54 83.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.105 0.962 . . . . 0.0 111.85 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -29.1 69.78 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.581 1.153 . . . . 0.0 113.232 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -88.32 -51.96 5.46 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.112 -0.993 . . . . 0.0 112.771 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.68 -21.01 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.077 1.351 . . . . 0.0 113.572 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.5 mmt -90.3 -18.54 25.41 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.7 p -106.77 -20.6 13.29 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.592 1.087 . . . . 0.0 113.739 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.87 -9.53 24.12 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 mt -124.87 159.7 30.49 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.106 1.763 . . . . 0.0 112.307 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.51 -139.44 31.92 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.847 1.213 . . . . 0.0 113.741 167.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -89.68 71.39 7.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.296 1.438 . . . . 0.0 107.772 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -35.27 125.2 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.821 2.449 . . . . 0.0 114.862 -162.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.71 133.46 48.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.154 1.382 . . . . 0.0 110.673 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -76.14 157.97 32.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.982 1.313 . . . . 0.0 110.701 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.76 -44.63 63.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.87 1.268 . . . . 0.0 113.13 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 -27.01 63.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.064 0.946 . . . . 0.0 112.94 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -80.62 -46.96 14.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.342 1.057 . . . . 0.0 110.714 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.83 -33.84 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.443 1.02 . . . . 0.0 112.082 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.97 -41.69 97.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.237 0.615 . . . . 0.0 111.748 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.84 -40.16 63.5 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.344 0.658 . . . . 0.0 111.671 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.7 ttm -52.63 -47.32 67.13 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.074 0.95 . . . . 0.0 111.499 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.6 mt -80.01 -34.29 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.776 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -56.18 -37.46 69.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.923 1.238 . . . . 0.0 111.188 170.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.64 -8.42 59.71 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.16 -46.61 4.79 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.107 1.321 . . . . 0.0 113.11 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.56 -10.01 59.27 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.525 1.53 . . . . 0.0 114.031 -172.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.2 pt -68.5 -17.94 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.089 1.356 . . . . 0.0 113.544 168.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.29 -26.72 5.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.07 1.348 . . . . 0.0 113.2 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.0 -173.53 38.63 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.032 0.825 . . . . 0.0 113.113 170.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -160.0 62.86 0.35 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.945 1.298 . . . . 0.0 110.276 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.12 -41.69 2.26 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.19 1.376 . . . . 0.0 112.282 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -86.44 140.4 30.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.356 1.062 . . . . 0.0 109.029 160.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.32 121.03 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.178 1.791 . . . . 0.0 108.866 -176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -81.26 77.39 8.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.887 1.275 . . . . 0.0 110.446 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -53.5 -26.46 20.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.077 1.351 . . . . 0.0 114.603 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.54 -40.52 79.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.966 0.906 . . . . 0.0 112.045 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -73.55 -36.7 65.67 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.989 0.915 . . . . 0.0 111.189 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.21 -39.54 94.91 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.498 -0.751 . . . . 0.0 112.433 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.23 -40.2 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.531 0.605 . . . . 0.0 111.546 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.66 -46.16 86.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.509 0.595 . . . . 0.0 110.548 175.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -64.84 -24.7 67.62 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mtm -72.92 -36.63 67.29 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.316 0.962 . . . . 0.0 113.26 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 t -106.98 -33.1 7.6 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -166.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.74 40.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.156 0.983 . . . . 0.0 111.899 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 56.3 mttp . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.603 1.561 . . . . 0.0 111.962 -171.604 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.05 159.89 43.75 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.883 3.055 . . . . 0.0 112.211 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -82.1 163.41 43.34 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.691 1.139 . . . . 0.0 113.701 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.1 p -59.34 -53.75 54.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.159 1.384 . . . . 0.0 111.56 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.66 -32.4 71.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.024 1.73 . . . . 0.0 112.502 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.38 -44.58 58.28 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.158 -0.964 . . . . 0.0 111.953 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -32.14 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.144 0.884 . . . . 0.0 111.193 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 73.3 m -61.31 -44.1 97.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.949 0.795 . . . . 0.0 111.749 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.85 84.12 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.559 -0.713 . . . . 0.0 111.011 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.2 mtm -60.81 -38.65 86.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.68 -46.82 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.273 0.942 . . . . 0.0 110.857 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.32 -38.48 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 0.0 111.618 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -59.21 -48.1 82.89 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.065 0.946 . . . . 0.0 110.96 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.82 -37.69 82.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.234 0.614 . . . . 0.0 112.565 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.06 84.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.857 0.863 . . . . 0.0 111.616 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.59 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.469 0.708 . . . . 0.0 111.899 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -66.77 -38.16 86.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.986 -1.071 . . . . 0.0 112.817 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -63.78 -36.37 83.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.346 0.976 . . . . 0.0 112.203 170.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 66.7 t60 -65.3 -44.37 88.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.663 0.785 . . . . 0.0 112.755 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.79 -35.65 73.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.122 -0.986 . . . . 0.0 112.905 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.11 -24.65 63.15 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -82.56 -22.33 34.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -96.37 -24.87 15.95 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.36 1.064 . . . . 0.0 113.655 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 96.2 p -89.04 -29.57 19.35 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.0 mm? 55.82 34.05 22.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -53.71 135.67 40.78 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.958 1.303 . . . . 0.0 112.837 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -59.63 -26.09 65.2 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -174.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -60.75 -17.95 51.8 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.914 1.286 . . . . 0.0 113.743 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 56.4 m -79.01 -11.49 60.01 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -128.4 -27.88 2.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.285 1.434 . . . . 0.0 113.643 -170.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.107 1.763 . . . . 0.0 113.084 178.471 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.49 -58.64 0.06 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.818 2.047 . . . . 0.0 108.862 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 75.85 166.55 0.27 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.944 2.498 . . . . 0.0 114.459 158.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.7 mt -74.16 156.0 37.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.265 -0.897 . . . . 0.0 113.099 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 p -103.55 163.01 12.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.197 1.799 . . . . 0.0 110.497 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.16 -35.0 74.35 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.06 -27.12 62.48 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.11 -42.71 31.12 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.697 0.681 . . . . 0.0 110.514 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.49 -43.26 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.091 0.957 . . . . 0.0 111.329 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.38 71.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.867 0.867 . . . . 0.0 113.252 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -76.42 -41.55 47.24 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.348 1.059 . . . . 0.0 111.258 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.53 -30.36 69.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.223 0.609 . . . . 0.0 112.5 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -59.19 -39.47 82.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.608 1.163 . . . . 0.0 112.514 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.26 -41.16 99.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.649 0.78 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.06 59.75 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.04 -39.4 94.61 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.145 0.978 . . . . 0.0 111.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -68.1 -17.22 64.31 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -30.14 56.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.626 1.103 . . . . 0.0 112.164 174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.69 -21.11 25.42 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 0.0 112.753 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -73.93 71.98 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 110.872 168.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -63.89 -25.92 68.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.844 1.658 . . . . 0.0 114.192 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.78 -15.97 31.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.754 1.622 . . . . 0.0 113.331 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 23.55 76.73 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.251 0.929 . . . . 0.0 113.386 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.95 -4.86 29.24 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.483 1.513 . . . . 0.0 113.701 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.82 13.38 56.73 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 124.9 1.238 . . . . 0.0 114.804 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 151.38 50.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.167 1.387 . . . . 0.0 112.974 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.65 166.19 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.746 1.618 . . . . 0.0 109.976 165.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 p -75.92 163.26 27.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.978 0.808 . . . . 0.0 112.313 168.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -60.83 -35.49 76.66 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.098 0.959 . . . . 0.0 111.724 167.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -61.25 -42.03 97.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.768 1.227 . . . . 0.0 112.963 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.86 -15.65 61.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.491 1.116 . . . . 0.0 113.439 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.31 -50.05 72.54 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.934 0.894 . . . . 0.0 110.572 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -17.94 68.43 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 118.843 -0.976 . . . . 0.0 113.872 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 m -86.03 -44.48 12.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.299 1.44 . . . . 0.0 110.954 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.13 -30.18 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 119.982 1.265 . . . . 0.0 112.741 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.9 mmt -57.97 -45.48 86.65 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.195 0.907 . . . . 0.0 111.187 167.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -74.71 -28.47 60.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.384 1.074 . . . . 0.0 113.215 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -31.19 72.02 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.007 0.923 . . . . 0.0 111.801 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.2 -1.36 57.37 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.798 1.639 . . . . 0.0 113.576 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.21 6.1 63.28 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 118.2 -1.334 . . . . 0.0 115.87 169.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -107.67 136.41 47.47 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.992 1.896 . . . . 0.0 111.239 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.92 85.91 12.59 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.182 1.393 . . . . 0.0 110.697 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.59 146.48 55.13 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.149 2.566 . . . . 0.0 110.493 174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -68.22 162.14 25.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.849 0.859 . . . . 0.0 110.575 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -54.4 -39.03 66.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.238 0.615 . . . . 0.0 112.271 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.62 -47.27 67.11 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.58 -31.86 70.28 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.603 0.638 . . . . 0.0 111.852 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.99 -48.52 65.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 111.191 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.11 -37.25 86.45 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.159 0.584 . . . . 0.0 111.375 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.39 -32.15 72.07 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.654 1.182 . . . . 0.0 113.16 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.5 mtm -77.9 -46.45 21.3 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.015 0.825 . . . . 0.0 111.654 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.03 -55.22 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.401 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -64.9 -20.42 66.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.153 0.888 . . . . 0.0 113.288 -171.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -76.46 -27.6 56.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.62 1.168 . . . . 0.0 113.167 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.91 -27.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.348 0.976 . . . . 0.0 113.3 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -90.2 26.21 1.96 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.308 1.443 . . . . 0.0 112.026 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.04 65.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.513 1.125 . . . . 0.0 113.768 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.09 -12.23 58.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.65 1.58 . . . . 0.0 113.635 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.35 14.01 77.41 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.282 1.42 . . . . 0.0 115.764 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -70.9 -22.94 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.56 9.24 83.6 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.204 1.383 . . . . 0.0 113.44 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 p -138.0 157.62 46.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.092 1.757 . . . . 0.0 111.915 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.3 mt -129.82 129.99 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.06 1.744 . . . . 0.0 108.179 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.78 156.21 17.16 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.45 1.1 . . . . 0.0 110.118 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.65 -47.31 79.02 Favored Pre-proline 0 CA--C 1.549 0.937 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -23.18 24.57 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.59 1.961 . . . . 0.0 113.2 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.09 -41.73 66.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.225 0.921 . . . . 0.0 110.76 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -62.82 -39.21 93.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 0.0 112.29 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -68.78 -31.41 70.4 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.971 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -63.38 -45.51 90.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.995 1.27 . . . . 0.0 111.617 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.3 -32.23 73.77 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.595 0.634 . . . . 0.0 112.411 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.6 mmm -71.74 -43.7 65.37 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.475 -0.766 . . . . 0.0 112.082 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.86 -41.92 83.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 112.584 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.68 -31.26 68.09 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.743 1.217 . . . . 0.0 113.223 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.08 -19.68 60.52 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.6 mmt -83.83 -7.56 59.42 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -59.98 149.27 32.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.725 1.148 . . . . 0.0 113.735 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.09 -4.0 28.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.675 1.19 . . . . 0.0 114.052 -171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -137.84 149.83 46.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.056 1.342 . . . . 0.0 111.908 -171.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.26 157.06 36.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.475 1.51 . . . . 0.0 111.156 164.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.2 m -77.78 140.42 39.44 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -163.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.52 -38.87 72.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.403 1.081 . . . . 0.0 113.489 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.24 -30.28 70.14 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -68.62 -41.33 79.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.118 0.567 . . . . 0.0 110.186 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.28 -45.4 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.822 1.249 . . . . 0.0 110.084 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -61.12 -47.14 87.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.233 1.013 . . . . 0.0 112.434 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.22 -28.27 66.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.73 99.35 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.954 0.797 . . . . 0.0 111.058 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.92 -39.96 91.01 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.062 -0.399 . . . . 0.0 111.867 171.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -68.82 -24.96 64.45 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 t -61.02 -32.29 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.118 0.872 . . . . 0.0 112.313 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -91.27 -19.74 22.65 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -61.94 142.32 57.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.253 1.421 . . . . 0.0 111.598 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -80.77 -17.35 51.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.455 1.102 . . . . 0.0 113.64 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -151.93 -10.2 0.2 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -172.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.89 22.76 48.34 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.14 1.352 . . . . 0.0 112.424 -166.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -16.83 61.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.113 1.365 . . . . 0.0 114.643 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.2 6.08 57.89 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.419 1.485 . . . . 0.0 114.97 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -134.45 146.33 49.7 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.37 165.15 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 127.379 2.271 . . . . 0.0 109.935 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -75.93 150.07 37.59 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.294 -1.503 . . . . 0.0 112.625 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.21 76.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.087 -1.008 . . . . 0.0 112.747 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.73 71.71 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.596 0.759 . . . . 0.0 111.167 173.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.02 -47.07 88.16 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.129 1.372 . . . . 0.0 111.477 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.49 -29.73 70.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.717 0.689 . . . . 0.0 112.746 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -68.48 -49.58 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.433 1.015 . . . . 0.0 110.488 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -65.99 -44.03 86.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.981 0.912 . . . . 0.0 112.876 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.66 -20.05 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.24 1.016 . . . . 0.0 112.6 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.7 mmt -92.98 -25.08 18.15 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.096 1.759 . . . . 0.0 114.237 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.6 p -102.24 -6.51 23.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.879 1.272 . . . . 0.0 113.348 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -111.87 -61.02 1.77 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.456 1.102 . . . . 0.0 112.412 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.22 146.96 29.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.719 1.208 . . . . 0.0 112.039 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.82 44.37 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.948 0.785 . . . . 0.0 112.449 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -74.37 169.12 18.31 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 122.534 -0.392 . . . . 0.0 110.759 163.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -127.05 119.94 27.8 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.59 -0.693 . . . . 0.0 111.559 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -81.78 172.21 13.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.895 0.878 . . . . 0.0 112.092 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.36 150.09 46.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.862 1.665 . . . . 0.0 113.146 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.92 -27.59 67.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 113.195 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.17 -35.19 59.27 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.679 -0.638 . . . . 0.0 111.855 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -45.86 43.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.156 0.982 . . . . 0.0 110.742 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.19 -30.42 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.903 1.229 . . . . 0.0 111.767 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.34 -44.52 83.07 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.021 -1.049 . . . . 0.0 111.931 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.98 -41.0 95.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.246 0.618 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.6 ttm -55.77 -41.88 74.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.272 1.029 . . . . 0.0 111.639 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.55 -43.75 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.584 0.754 . . . . 0.0 112.056 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.464 1.029 . . . . 0.0 113.186 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.58 -12.19 60.0 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.35 -35.98 7.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.9 1.28 . . . . 0.0 112.921 172.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.29 -15.56 62.65 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.826 2.051 . . . . 0.0 114.199 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.8 pp -63.48 -11.11 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.7 -26.41 60.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.562 1.145 . . . . 0.0 112.262 169.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.02 -11.09 56.17 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.765 1.65 . . . . 0.0 116.4 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -82.81 -20.14 36.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 118.978 1.389 . . . . 0.0 114.106 -173.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.02 -9.93 74.88 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.219 1.39 . . . . 0.0 114.351 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -99.06 143.39 29.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.13 1.372 . . . . 0.0 109.95 167.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.12 122.81 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 126.435 1.894 . . . . 0.0 108.249 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.16 94.68 4.12 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 162.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -73.2 -21.89 60.57 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.0 -41.57 98.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.286 0.634 . . . . 0.0 111.651 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.01 -26.58 39.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.663 0.785 . . . . 0.0 112.752 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.53 -27.32 68.88 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.833 -1.167 . . . . 0.0 113.12 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.7 -38.92 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.678 1.191 . . . . 0.0 112.081 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -66.3 -33.0 74.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.44 0.696 . . . . 0.0 111.644 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 mtt -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.697 0.799 . . . . 0.0 112.155 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.5 mtm -82.76 -26.1 32.19 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -78.41 -26.88 46.56 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.613 1.097 . . . . 0.0 111.609 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.37 -175.16 3.61 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.065 1.346 . . . . 0.0 113.297 172.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.255 1.355 0 C-N-CA 127.228 2.211 . . . . 0.0 110.639 176.034 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 CA-C-O 119.29 -0.728 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.34 155.54 40.35 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 124.335 3.357 . . . . 0.0 113.61 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -74.51 166.71 54.82 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 123.928 0.775 . . . . 0.0 114.079 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 42.1 m -64.25 -40.08 95.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.13 0.972 . . . . 0.0 110.789 -177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 48.0 mp0 -59.54 -43.36 93.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.012 2.125 . . . . 0.0 111.46 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.71 -44.51 73.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.171 0.588 . . . . 0.0 111.72 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.7 m -73.08 -28.55 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.718 0.69 . . . . 0.0 112.176 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -66.17 -44.27 84.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.461 1.028 . . . . 0.0 111.332 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.63 -27.16 66.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.533 1.133 . . . . 0.0 112.958 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 59.8 mtt -66.61 -42.27 87.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.595 0.758 . . . . 0.0 112.577 172.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 88.5 t -67.26 -37.67 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.095 0.862 . . . . 0.0 111.376 -169.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.11 -48.68 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.161 0.584 . . . . 0.0 110.857 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -74.96 -24.33 58.44 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -67.75 -44.12 78.28 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.601 1.091 . . . . 0.0 111.248 169.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.08 95.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.468 0.707 . . . . 0.0 111.954 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.7 -45.96 84.37 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -67.88 -36.64 80.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.251 0.932 . . . . 0.0 112.183 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.59 -34.16 77.58 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.809 1.243 . . . . 0.0 111.871 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.14 -47.15 65.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.565 1.146 . . . . 0.0 112.446 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.01 -32.78 72.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.425 1.49 . . . . 0.0 112.292 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.73 -28.35 65.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.032 0.933 . . . . 0.0 112.354 171.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -80.79 -18.1 48.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.368 0.985 . . . . 0.0 112.696 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.24 -37.54 25.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.137 0.975 . . . . 0.0 111.52 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.9 m -84.47 -29.48 26.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 67.76 -53.26 0.51 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 130.163 3.385 . . . . 0.0 112.948 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.0 147.86 48.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.364 1.066 . . . . 0.0 111.984 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.88 152.39 27.51 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.796 1.238 . . . . 0.0 113.546 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -139.29 169.35 17.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.208 1.403 . . . . 0.0 111.589 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 22.6 t -153.77 149.91 27.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.741 1.217 . . . . 0.0 111.588 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -115.47 -10.05 12.0 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.44 1.496 . . . . 0.0 113.81 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.255 1.363 0 C-N-CA 126.536 1.934 . . . . 0.0 110.452 -177.486 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -160.69 -46.83 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.008 1.323 . . . . 0.0 113.646 -177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 72.35 178.15 0.25 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.241 2.616 . . . . 0.0 113.102 178.223 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.34 150.6 48.62 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -164.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p -112.25 162.09 15.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.424 1.889 . . . . 0.0 111.35 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.52 -32.78 73.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.523 0.729 . . . . 0.0 112.65 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.93 -25.8 60.17 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.21 -45.41 56.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.173 0.897 . . . . 0.0 110.702 167.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -56.94 -38.45 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.402 0.681 . . . . 0.0 111.554 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -28.61 69.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.83 -39.91 15.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.2 1.0 . . . . 0.0 111.724 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -65.85 -29.11 69.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.491 0.716 . . . . 0.0 111.924 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.17 -43.58 95.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -65.9 -37.93 87.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.745 0.818 . . . . 0.0 112.025 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.26 67.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.383 0.673 . . . . 0.0 112.491 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.23 -40.98 98.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.329 1.051 . . . . 0.0 112.25 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 m -67.93 -15.68 63.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -30.07 63.7 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.045 1.293 . . . . 0.0 111.359 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -86.85 -21.75 26.2 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.295 1.438 . . . . 0.0 112.634 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -75.62 85.03 2.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.732 1.213 . . . . 0.0 110.749 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.78 -27.29 62.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.46 -15.91 29.95 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.66 1.184 . . . . 0.0 113.544 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.4 74.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.982 1.277 . . . . 0.0 113.862 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.73 -6.96 53.75 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.316 1.446 . . . . 0.0 114.002 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.06 53.04 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.324 1.44 . . . . 0.0 115.044 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.3 p -129.77 154.05 47.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.38 1.472 . . . . 0.0 112.467 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -117.83 160.25 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.375 1.47 . . . . 0.0 110.527 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 m -75.4 151.39 38.16 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.643 -0.661 . . . . 0.0 109.293 169.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 p -58.73 -30.87 67.81 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.579 1.152 . . . . 0.0 112.526 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.24 -27.27 68.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.176 1.79 . . . . 0.0 113.465 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.72 -7.97 55.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.919 1.288 . . . . 0.0 112.516 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.22 -49.3 78.38 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.058 0.943 . . . . 0.0 111.341 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.09 -25.44 68.1 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 121.666 -0.646 . . . . 0.0 113.341 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -76.72 -49.31 16.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.684 1.194 . . . . 0.0 110.919 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.14 -31.43 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.921 0.782 . . . . 0.0 112.382 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 mmt -56.37 -52.23 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.73 0.812 . . . . 0.0 111.316 166.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -62.19 -40.83 97.37 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.131 1.373 . . . . 0.0 112.548 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -66.58 -26.41 67.09 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.116 -0.99 . . . . 0.0 113.526 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.05 11.59 22.54 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.437 1.495 . . . . 0.0 113.173 171.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.79 12.36 78.36 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 124.38 0.99 . . . . 0.0 114.795 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -77.62 146.61 36.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.083 0.942 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -124.51 55.29 9.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.35 147.71 42.17 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.201 2.601 . . . . 0.0 111.224 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -73.39 162.26 29.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.465 1.106 . . . . 0.0 110.334 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -53.82 -40.49 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.19 1.396 . . . . 0.0 112.738 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.42 80.14 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.924 0.89 . . . . 0.0 112.621 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.38 -45.07 66.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.528 0.731 . . . . 0.0 111.116 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.18 -48.06 79.69 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.288 0.635 . . . . 0.0 111.286 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.68 -47.59 84.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.754 0.422 . . . . 0.0 111.504 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.68 -31.32 71.21 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.486 -0.759 . . . . 0.0 112.922 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.1 mtm -69.71 -31.15 69.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.804 -0.56 . . . . 0.0 111.377 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.09 -48.63 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 118.939 0.79 . . . . 0.0 109.394 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -57.29 -27.6 62.29 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -70.58 -28.73 65.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.335 1.054 . . . . 0.0 112.827 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.85 -28.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.4 17.78 5.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.137 1.375 . . . . 0.0 112.576 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -23.09 63.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 113.433 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.34 -11.14 59.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.01 1.324 . . . . 0.0 113.73 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.38 18.74 70.59 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.12 1.343 . . . . 0.0 115.135 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.03 -30.4 67.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.33 4.94 90.35 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.186 1.374 . . . . 0.0 113.71 -171.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -140.07 161.25 38.07 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.688 1.995 . . . . 0.0 110.957 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.9 mt -121.64 131.96 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 125.886 1.675 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -94.73 151.97 18.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.305 1.442 . . . . 0.0 110.518 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.95 -51.54 66.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.834 -1.555 . . . . 0.0 114.939 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.51 -23.18 50.53 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.342 2.028 . . . . 0.0 113.57 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.85 -41.13 62.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.582 1.083 . . . . 0.0 110.755 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.6 -39.38 91.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 111.99 169.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.55 -32.04 71.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.231 -0.918 . . . . 0.0 112.363 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -63.62 -46.86 83.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.099 0.96 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 ptp -65.45 -39.77 92.43 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.902 0.773 . . . . 0.0 111.971 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.3 mmm -62.72 -33.59 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.041 0.936 . . . . 0.0 112.437 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.47 -54.45 9.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.328 1.051 . . . . 0.0 112.537 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.99 -37.4 79.55 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.692 1.197 . . . . 0.0 113.907 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.12 -15.67 63.86 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtt -81.17 -5.57 57.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.543 1.137 . . . . 0.0 113.278 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -136.68 23.31 3.13 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.239 1.416 . . . . 0.0 114.671 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.96 67.12 5.66 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.194 2.198 . . . . 0.0 111.429 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -133.79 178.43 6.95 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.277 1.431 . . . . 0.0 113.239 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.05 176.49 12.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.79 2.436 . . . . 0.0 111.408 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 p -147.52 159.29 43.91 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.47 -32.3 68.62 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.311 1.444 . . . . 0.0 111.538 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.93 -38.26 66.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.902 0.881 . . . . 0.0 111.806 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.0 -38.74 91.97 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.079 0.854 . . . . 0.0 110.513 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.67 -40.48 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 110.898 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -64.38 -42.54 96.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.762 0.825 . . . . 0.0 112.634 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.89 -35.2 76.03 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.507 -0.746 . . . . 0.0 112.424 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.01 79.93 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.453 -0.78 . . . . 0.0 112.734 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -70.93 -39.0 72.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.125 0.875 . . . . 0.0 112.645 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.03 -27.28 69.0 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.89 -35.72 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.174 0.99 . . . . 0.0 112.428 169.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -88.59 -21.0 24.26 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.91 139.06 58.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.47 1.108 . . . . 0.0 110.948 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -78.57 -12.5 60.02 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -146.15 -14.93 0.46 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.325 1.45 . . . . 0.0 114.33 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.49 25.67 32.42 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.994 1.283 . . . . 0.0 112.237 -167.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -76.19 -25.5 55.25 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.181 1.392 . . . . 0.0 114.149 -171.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.57 13.61 29.76 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 125.554 1.55 . . . . 0.0 113.512 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -142.51 139.46 31.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 114.461 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.38 156.41 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.078 1.751 . . . . 0.0 110.66 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -74.66 136.19 41.91 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.669 -1.269 . . . . 0.0 111.827 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.144 -0.972 . . . . 0.0 113.212 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.95 81.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.853 0.861 . . . . 0.0 112.811 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.5 -42.54 74.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.71 0.804 . . . . 0.0 110.764 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.44 -37.42 78.09 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.642 0.777 . . . . 0.0 111.556 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -65.27 -42.52 93.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.659 -0.651 . . . . 0.0 112.107 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -71.3 -48.59 49.76 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.799 0.84 . . . . 0.0 113.081 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.94 -21.22 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.291 1.036 . . . . 0.0 112.518 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -93.96 -17.46 22.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.3 p -101.32 -32.96 10.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.477 1.035 . . . . 0.0 112.224 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.91 -55.63 3.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.066 0.946 . . . . 0.0 111.97 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.18 154.0 20.5 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.188 1.395 . . . . 0.0 112.008 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 -134.62 14.91 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 111.569 -172.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.37 -171.53 3.5 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.471 0.708 . . . . 0.0 109.65 164.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -84.68 165.43 17.9 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.298 -1.501 . . . . 0.0 111.357 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.31 136.47 21.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.584 1.554 . . . . 0.0 108.496 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -74.47 158.58 33.58 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.399 1.08 . . . . 0.0 111.926 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.8 -44.92 82.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.755 1.222 . . . . 0.0 112.201 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.58 -21.36 62.69 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.303 1.041 . . . . 0.0 112.973 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.61 -57.58 3.39 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.978 0.911 . . . . 0.0 109.117 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.29 -32.32 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -171.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.63 -37.24 82.19 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.054 0.843 . . . . 0.0 111.614 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.65 -27.83 60.59 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.731 0.813 . . . . 0.0 111.881 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 52.2 ttm -57.26 -43.85 83.39 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.135 0.879 . . . . 0.0 111.249 170.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.97 -44.02 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.595 -0.691 . . . . 0.0 110.534 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.56 -27.58 68.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.139 0.976 . . . . 0.0 113.243 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -90.15 -37.01 14.49 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.028 1.331 . . . . 0.0 112.639 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.91 -41.34 19.01 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -95.23 -19.64 19.86 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.604 1.561 . . . . 0.0 112.854 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.264 5.9 mt 64.75 48.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.097 1.759 . . . . 0.0 110.547 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 79.7 135.01 0.06 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.911 3.284 . . . . 0.0 113.371 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.73 -154.12 17.19 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.381 1.467 . . . . 0.0 113.578 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -151.41 143.22 23.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.976 1.711 . . . . 0.0 110.824 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.28 -145.1 12.4 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.216 0.912 . . . . 0.0 112.765 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -86.95 123.39 32.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.695 0.798 . . . . 0.0 110.168 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.34 125.38 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 127.252 2.221 . . . . 0.0 109.588 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.05 96.13 6.38 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.188 0.518 . . . . 0.0 109.793 166.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -72.52 -25.82 61.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.9 -42.01 86.18 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.61 -0.681 . . . . 0.0 111.648 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.82 -37.53 76.27 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.533 0.733 . . . . 0.0 111.785 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.6 -40.08 93.51 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.088 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.67 -43.92 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.49 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -67.52 -31.19 71.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.206 0.912 . . . . 0.0 112.799 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 77.1 mtm -73.64 -36.9 65.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.233 0.613 . . . . 0.0 112.085 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.6 ttp -72.81 -37.3 67.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.935 1.294 . . . . 0.0 113.093 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p -86.13 -4.44 59.17 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.629 1.171 . . . . 0.0 113.475 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.63 141.75 56.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.321 1.048 . . . . 0.0 112.503 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.301 0 CA-C-O 115.9 -2.0 . . . . 0.0 113.502 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.5 162.47 38.03 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.541 3.494 . . . . 0.0 111.556 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -75.05 152.68 44.15 Favored Glycine 0 N--CA 1.469 0.892 0 C-N-CA 123.831 0.729 . . . . 0.0 112.779 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 50.6 m -65.0 -40.8 95.46 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.865 0.866 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 42.6 mp0 -58.45 -44.02 89.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.387 1.875 . . . . 0.0 111.237 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.15 -48.25 71.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 110.999 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.9 m -71.95 -26.91 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.322 -0.861 . . . . 0.0 113.083 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -67.26 -45.57 76.29 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.09 -1.006 . . . . 0.0 111.24 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.02 64.82 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.571 0.748 . . . . 0.0 112.683 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 58.2 mtt -59.19 -30.6 68.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.051 0.94 . . . . 0.0 113.32 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.4 t -71.2 -42.17 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.099 0.863 . . . . 0.0 110.288 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.09 -43.85 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.34 0.656 . . . . 0.0 110.117 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.41 -42.93 96.98 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.369 0.668 . . . . 0.0 111.579 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -60.94 -49.88 75.67 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.772 0.829 . . . . 0.0 111.326 175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.86 97.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.489 0.716 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.46 -41.17 76.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.205 0.602 . . . . 0.0 112.552 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -63.79 -41.05 98.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.311 0.96 . . . . 0.0 111.988 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -64.32 -35.36 80.6 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.111 0.964 . . . . 0.0 112.687 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.83 -50.84 61.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.913 0.885 . . . . 0.0 112.242 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.5 -27.99 68.98 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.137 -0.977 . . . . 0.0 113.432 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.98 -26.83 67.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.686 0.795 . . . . 0.0 112.675 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -83.07 -34.81 26.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.611 0.764 . . . . 0.0 111.199 173.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -73.89 -44.59 54.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.643 1.177 . . . . 0.0 112.592 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 49.7 m -111.78 -14.71 13.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -168.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 68.55 -49.01 0.56 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.688 3.195 . . . . 0.0 114.075 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -109.82 -64.22 1.28 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.812 1.645 . . . . 0.0 110.708 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 30.9 p80 -177.43 171.2 1.99 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 128.02 2.528 . . . . 0.0 110.492 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -70.23 153.33 43.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.853 0.861 . . . . 0.0 112.225 172.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 50.5 m -79.59 152.96 29.77 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.251 1.02 . . . . 0.0 112.706 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 55.0 p90 -160.6 -42.22 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.308 1.443 . . . . 0.0 112.687 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.454 1.902 . . . . 0.0 113.89 176.066 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.685 0.278 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -100.1 3.06 43.72 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.005 1.322 . . . . 0.0 112.546 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -160.43 153.74 21.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.454 1.902 . . . . 0.0 109.345 -168.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -60.47 141.35 56.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.704 -0.622 . . . . 0.0 112.501 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.3 p -96.51 161.54 13.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.899 1.28 . . . . 0.0 111.372 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.87 -31.67 71.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.63 -22.01 61.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.804 0.842 . . . . 0.0 113.24 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -82.12 -43.26 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.037 0.835 . . . . 0.0 110.343 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.19 -36.43 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.273 1.029 . . . . 0.0 110.99 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.27 66.55 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.33 -41.77 10.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.627 1.171 . . . . 0.0 111.569 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.41 -33.33 73.51 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.536 -0.728 . . . . 0.0 112.106 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -58.54 -39.97 81.67 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.114 0.966 . . . . 0.0 112.498 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.61 -40.22 80.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.56 0.618 . . . . 0.0 111.682 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.81 77.35 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.553 -0.717 . . . . 0.0 112.59 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.5 -40.16 73.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.941 0.896 . . . . 0.0 111.792 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 -18.39 64.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.39 -25.52 59.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.716 1.143 . . . . 0.0 112.715 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -89.81 -20.85 23.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 112.94 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -76.09 84.79 2.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.719 1.208 . . . . 0.0 110.948 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -71.83 -27.56 62.99 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -174.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -89.11 -17.64 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.646 1.179 . . . . 0.0 113.155 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.31 73.04 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.607 1.098 . . . . 0.0 113.849 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -94.13 -5.53 46.98 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.482 1.513 . . . . 0.0 113.992 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 16.42 53.44 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.838 1.209 . . . . 0.0 114.586 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.6 p -125.63 152.07 45.66 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.327 1.451 . . . . 0.0 112.501 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.66 164.55 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.796 1.638 . . . . 0.0 109.776 166.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.7 p -76.38 164.36 26.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.356 0.98 . . . . 0.0 112.494 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -62.71 -26.01 68.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.143 168.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.78 -44.35 50.01 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.472 1.109 . . . . 0.0 111.505 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -66.08 -20.97 66.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.76 1.224 . . . . 0.0 113.506 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.64 -52.1 63.34 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.572 -0.705 . . . . 0.0 111.447 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.36 -19.22 59.57 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.378 -0.679 . . . . 0.0 113.494 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 m -85.06 -43.37 13.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.347 1.459 . . . . 0.0 111.399 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.33 -27.99 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.203 1.365 . . . . 0.0 111.974 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 mmt -54.06 -51.05 65.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.769 0.828 . . . . 0.0 110.81 166.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.15 -28.65 61.42 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.282 1.033 . . . . 0.0 113.338 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -60.98 -32.25 71.81 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.188 -0.945 . . . . 0.0 112.039 167.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.66 11.07 30.23 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.59 1.956 . . . . 0.0 113.276 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.15 87.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.82 1.2 . . . . 0.0 115.156 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -90.03 132.58 35.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.923 1.289 . . . . 0.0 109.432 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -120.48 64.68 11.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.022 0.929 . . . . 0.0 112.681 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.42 142.13 32.75 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.319 2.679 . . . . 0.0 111.225 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 m -70.67 159.66 34.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.013 0.925 . . . . 0.0 109.961 175.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.13 -35.56 69.64 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.929 0.892 . . . . 0.0 112.745 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.41 74.33 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.851 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -74.34 -40.92 61.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.779 0.832 . . . . 0.0 110.731 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -58.67 -48.68 80.24 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.086 0.954 . . . . 0.0 110.474 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -58.81 -42.52 89.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.083 0.856 . . . . 0.0 111.948 176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.62 -35.36 79.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.049 0.94 . . . . 0.0 113.519 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 ptp -83.67 -35.96 24.14 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.075 0.852 . . . . 0.0 112.962 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.96 -54.82 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.583 1.153 . . . . 0.0 110.89 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -63.74 -21.41 66.39 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.752 1.16 . . . . 0.0 113.314 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.45 -22.14 51.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 113.364 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.02 -28.37 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.761 1.164 . . . . 0.0 113.362 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.8 25.04 2.89 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.984 1.714 . . . . 0.0 112.714 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.49 -20.25 62.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.897 1.279 . . . . 0.0 113.676 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.08 -15.34 59.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.32 1.448 . . . . 0.0 113.385 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.91 18.18 79.06 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.782 1.182 . . . . 0.0 113.758 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -73.34 -30.22 63.19 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.854 1.662 . . . . 0.0 113.404 -170.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.31 5.18 82.93 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.765 1.65 . . . . 0.0 114.342 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -136.1 156.4 48.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.779 1.632 . . . . 0.0 112.744 -171.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.78 131.39 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.066 2.146 . . . . 0.0 108.888 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.73 156.68 19.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 112.026 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.24 -51.4 81.13 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.71 -26.87 45.29 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.723 2.282 . . . . 0.0 113.298 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.91 -39.57 69.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.599 1.16 . . . . 0.0 111.472 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -62.58 -42.69 99.72 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 111.997 168.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.4 -32.18 73.68 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.1 m -64.01 -47.8 78.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.18 0.992 . . . . 0.0 110.971 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.4 ptp -67.18 -31.61 72.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.509 0.595 . . . . 0.0 112.47 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.81 -41.97 74.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.991 . . . . 0.0 112.116 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -51.34 69.74 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.346 1.058 . . . . 0.0 112.329 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.0 -21.87 66.69 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.266 1.426 . . . . 0.0 113.282 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -88.6 -15.94 33.78 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmt -58.03 138.95 55.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.743 1.217 . . . . 0.0 113.47 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -91.76 161.25 14.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.121 1.369 . . . . 0.0 113.546 -168.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -81.11 -36.25 30.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.204 1.402 . . . . 0.0 112.136 168.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.279 13.6 t 47.62 -145.67 0.28 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.016 2.526 . . . . 0.0 113.639 168.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -154.67 149.01 26.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.638 1.975 . . . . 0.0 112.184 173.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.2 t -169.57 149.01 3.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 110.48 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.42 -30.39 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.22 -42.28 69.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.82 0.848 . . . . 0.0 111.993 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -68.53 -40.7 80.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.003 0.921 . . . . 0.0 110.442 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.45 -42.5 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.959 1.304 . . . . 0.0 110.68 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -61.93 -45.31 94.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.498 0.719 . . . . 0.0 112.432 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -63.34 -32.64 74.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.26 96.87 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.469 1.031 . . . . 0.0 111.579 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -68.46 -39.11 81.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.732 -0.605 . . . . 0.0 112.383 169.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -64.53 -32.01 73.47 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.684 0.794 . . . . 0.0 112.686 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.52 -37.11 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.675 1.19 . . . . 0.0 111.908 170.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.69 -23.83 31.54 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -68.6 117.32 10.18 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.923 0.868 . . . . 0.0 110.242 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -81.69 -8.86 59.75 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 113.921 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.5 -20.76 5.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.35 1.46 . . . . 0.0 113.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.4 19.25 69.37 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.853 1.216 . . . . 0.0 113.123 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.85 -19.73 61.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.826 1.65 . . . . 0.0 114.472 -174.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.56 11.1 52.19 Favored Glycine 0 N--CA 1.476 1.33 0 C-N-CA 125.49 1.519 . . . . 0.0 113.922 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.44 142.94 39.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.052 1.341 . . . . 0.0 113.075 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.55 159.67 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.773 1.629 . . . . 0.0 110.623 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -80.41 139.95 36.25 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.015 -1.053 . . . . 0.0 111.746 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.9 98.63 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.856 -1.152 . . . . 0.0 112.918 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.13 71.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 0.0 113.096 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.98 -44.57 30.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.399 1.48 . . . . 0.0 111.203 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.79 -39.45 94.28 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.056 0.844 . . . . 0.0 111.991 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -55.23 -54.34 44.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.862 0.865 . . . . 0.0 111.091 166.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -66.63 -42.41 86.81 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.2 -23.2 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.519 -1.363 . . . . 0.0 112.53 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.51 -20.61 50.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.84 1.256 . . . . 0.0 114.359 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 77.4 p -108.83 -12.66 14.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.9 1.28 . . . . 0.0 113.636 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -103.99 -42.67 5.5 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.16 152.76 18.5 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.491 1.116 . . . . 0.0 112.333 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.9 -152.74 50.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.309 1.433 . . . . 0.0 114.154 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.86 140.06 55.19 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 160.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -91.83 140.34 29.78 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 tp -87.8 155.32 19.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.564 1.546 . . . . 0.0 110.609 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -83.78 162.52 20.6 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.94 -39.64 78.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.266 1.426 . . . . 0.0 111.98 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.89 -42.7 94.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.0 1.72 . . . . 0.0 110.915 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.68 -43.64 65.65 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.123 0.969 . . . . 0.0 112.135 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.74 -32.36 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.343 1.428 . . . . 0.0 111.983 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.45 -39.47 92.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.07 0.85 . . . . 0.0 112.054 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -64.21 -48.11 77.11 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.486 0.585 . . . . 0.0 111.279 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttm -56.65 -50.79 71.03 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.413 1.085 . . . . 0.0 112.114 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.13 -40.42 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.399 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -65.17 -37.23 86.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.21 -20.57 60.84 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.85 -43.7 12.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.928 0.891 . . . . 0.0 112.614 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.29 -22.42 66.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.493 1.517 . . . . 0.0 114.121 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.5 pt -69.75 -17.56 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -109.67 -32.49 7.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.239 1.416 . . . . 0.0 112.127 172.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -80.77 -161.26 25.35 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.48 1.514 . . . . 0.0 114.004 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -160.72 67.75 0.33 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.214 1.406 . . . . 0.0 110.447 -175.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.34 -43.55 2.31 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 125.062 1.315 . . . . 0.0 112.588 -170.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -89.04 146.39 24.88 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.663 1.185 . . . . 0.0 110.542 165.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.0 t -88.36 124.24 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.978 1.711 . . . . 0.0 109.507 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.44 73.53 7.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.992 1.317 . . . . 0.0 110.383 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -63.07 -23.96 67.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.59 -39.25 79.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.688 0.795 . . . . 0.0 112.343 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -80.12 -34.97 37.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.232 1.013 . . . . 0.0 111.698 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -62.21 -28.58 69.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.982 1.313 . . . . 0.0 113.241 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.06 -39.56 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.544 1.138 . . . . 0.0 112.522 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.42 -25.92 65.27 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.143 0.883 . . . . 0.0 111.887 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.1 mtt -70.46 -19.88 62.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.31 1.044 . . . . 0.0 112.73 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 18.0 mmt -78.12 -42.05 33.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.043 1.337 . . . . 0.0 112.282 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.4 p -84.87 -36.33 21.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.955 1.302 . . . . 0.0 111.587 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 64.41 -157.44 0.3 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 126.456 1.902 . . . . 0.0 113.747 164.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.979 1.712 . . . . 0.0 112.981 -177.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -73.67 149.13 42.92 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 124.372 3.381 . . . . 0.0 111.879 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -99.14 19.27 54.8 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.87 1.7 . . . . 0.0 114.009 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.9 m -63.66 -41.08 98.25 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.623 1.212 . . . . 0.0 111.181 -169.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.55 -42.68 99.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 112.005 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.89 -45.25 78.61 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.516 -0.74 . . . . 0.0 111.663 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.0 m -71.08 -31.43 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 69.8 m -63.17 -43.7 97.53 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.345 -0.847 . . . . 0.0 111.495 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.77 68.84 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.386 -0.821 . . . . 0.0 112.669 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.0 mtm -79.34 -16.72 55.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 55.7 t -81.61 -43.72 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.758 1.163 . . . . 0.0 110.939 172.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.49 -35.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.542 0.61 . . . . 0.0 111.767 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.4 -34.7 76.5 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -65.95 -39.97 90.91 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.512 1.051 . . . . 0.0 111.186 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.92 96.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.242 1.417 . . . . 0.0 111.422 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -72.46 -35.77 68.32 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.475 -0.766 . . . . 0.0 112.763 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.54 -21.22 61.93 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.217 -0.927 . . . . 0.0 112.402 172.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -73.84 -39.69 63.83 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.368 1.067 . . . . 0.0 111.755 164.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 71.3 t60 -58.4 -51.47 69.68 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.224 0.92 . . . . 0.0 112.748 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.11 -21.82 59.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.983 1.313 . . . . 0.0 114.43 -172.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 96.9 mt -87.87 -62.25 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.215 1.006 . . . . 0.0 110.519 170.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -69.99 -11.24 60.73 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -168.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -55.01 -28.05 49.01 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 172.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 75.0 p -169.69 -24.38 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 68.89 -43.09 0.5 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 129.719 3.208 . . . . 0.0 113.579 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 84.4 tttt -72.0 145.92 48.03 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.401 1.48 . . . . 0.0 112.386 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 35.1 p80 -68.53 -27.6 66.24 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -85.88 123.83 31.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.479 1.112 . . . . 0.0 111.489 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 43.0 p -91.56 -19.3 22.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.054 1.341 . . . . 0.0 113.838 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 53.8 p90 -93.35 -13.99 27.43 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.421 1.488 . . . . 0.0 114.039 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.5 1.52 . . . . 0.0 112.389 178.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -108.34 9.04 27.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.324 1.85 . . . . 0.0 112.648 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.46 167.21 31.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.779 1.231 . . . . 0.0 112.712 -158.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.5 mt -57.13 147.24 25.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -93.25 160.06 15.0 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.879 1.672 . . . . 0.0 111.515 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.612 0.765 . . . . 0.0 112.987 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.9 -24.67 61.68 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -81.17 -44.27 18.1 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.83 0.852 . . . . 0.0 110.31 170.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.73 -37.39 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.914 1.286 . . . . 0.0 111.952 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.77 67.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.441 1.096 . . . . 0.0 113.723 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.98 -39.85 12.71 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.81 0.844 . . . . 0.0 111.691 173.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.33 -30.53 71.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.405 0.682 . . . . 0.0 112.76 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.16 -44.3 71.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.592 1.157 . . . . 0.0 112.555 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -38.3 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.278 0.631 . . . . 0.0 111.935 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.67 -47.65 45.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.151 0.432 . . . . 0.0 111.817 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -58.54 -42.04 86.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.808 0.843 . . . . 0.0 112.354 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 m -66.32 -18.55 65.42 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -29.66 38.71 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.084 1.311 . . . . 0.0 111.808 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -88.06 -11.77 46.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.946 1.299 . . . . 0.0 113.005 175.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.81 63.3 2.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.035 1.734 . . . . 0.0 110.568 166.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -67.82 -25.66 65.68 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.903 1.281 . . . . 0.0 113.835 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.16 -16.81 36.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.79 1.236 . . . . 0.0 113.303 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.82 13.76 80.81 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.674 1.13 . . . . 0.0 114.403 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.15 -18.6 42.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 113.736 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.3 20.44 25.26 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.904 1.24 . . . . 0.0 113.921 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -133.26 151.85 51.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.407 1.483 . . . . 0.0 111.144 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.28 161.69 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.152 0.981 . . . . 0.0 110.462 166.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -79.25 153.53 29.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.551 0.741 . . . . 0.0 111.339 166.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -60.75 -35.59 76.78 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.475 1.11 . . . . 0.0 111.871 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.32 -35.76 80.09 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 113.078 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -85.83 -8.09 58.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.312 1.045 . . . . 0.0 113.137 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.23 -47.7 68.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.519 1.054 . . . . 0.0 110.998 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.8 -13.59 59.41 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.722 1.153 . . . . 0.0 114.414 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.6 m -92.7 -41.04 10.38 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.88 1.672 . . . . 0.0 110.596 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.91 -40.45 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 119.536 1.062 . . . . 0.0 110.377 170.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -53.54 -53.17 55.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 110.903 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.89 -26.3 63.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.063 0.945 . . . . 0.0 113.19 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.9 m -70.01 -19.4 63.32 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.244 -0.91 . . . . 0.0 112.997 170.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.93 -2.19 26.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.653 1.981 . . . . 0.0 113.324 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 5.89 66.74 Favored Glycine 0 N--CA 1.475 1.292 0 C-N-CA 125.295 1.426 . . . . 0.0 115.138 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -85.0 128.33 34.58 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.134 1.467 . . . . 0.0 109.446 172.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -119.65 73.16 16.37 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.057 0.943 . . . . 0.0 111.137 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.91 131.32 16.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.464 2.776 . . . . 0.0 111.443 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.77 156.56 13.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.537 1.135 . . . . 0.0 109.296 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.29 -34.11 63.84 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.87 74.42 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.263 1.025 . . . . 0.0 112.951 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.57 -37.17 82.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.137 1.375 . . . . 0.0 111.372 175.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.43 -48.77 71.62 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.251 1.02 . . . . 0.0 110.488 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -63.69 -36.76 84.9 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.477 0.581 . . . . 0.0 111.491 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.51 -34.58 75.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.975 0.91 . . . . 0.0 112.695 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.1 mtm -75.6 -42.41 51.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 111.373 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -56.63 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.529 0.604 . . . . 0.0 110.575 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -65.82 -17.52 64.69 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.72 -27.2 64.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.438 1.095 . . . . 0.0 113.446 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -112.44 -24.66 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.184 0.994 . . . . 0.0 113.354 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.91 23.72 3.55 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.312 1.845 . . . . 0.0 112.675 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.1 -24.05 66.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.75 1.22 . . . . 0.0 113.306 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.01 -15.76 56.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.588 1.555 . . . . 0.0 113.25 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.9 17.57 79.7 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.199 1.381 . . . . 0.0 113.375 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.36 -26.38 63.71 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.747 1.219 . . . . 0.0 113.89 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.76 0.51 87.68 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.483 1.516 . . . . 0.0 114.982 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.0 p -137.55 160.8 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.828 1.651 . . . . 0.0 112.299 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -132.2 132.66 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.738 2.015 . . . . 0.0 108.762 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.98 157.25 16.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.87 1.268 . . . . 0.0 110.854 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 28.3 t80 -56.95 -43.85 99.56 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.764 -172.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.2 -35.52 85.09 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.752 2.301 . . . . 0.0 113.421 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -70.96 -43.85 67.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.618 0.767 . . . . 0.0 110.926 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.08 -45.48 90.73 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.52 1.128 . . . . 0.0 112.365 172.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.42 -35.78 81.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.651 -0.656 . . . . 0.0 112.108 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -63.77 -44.04 94.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.844 0.747 . . . . 0.0 110.676 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.1 -48.33 80.5 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.561 0.618 . . . . 0.0 111.93 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.2 -40.11 96.56 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.796 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.21 94.01 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.836 1.254 . . . . 0.0 112.918 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -63.38 -33.66 76.02 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 112.68 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.87 -21.45 65.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -80.31 -8.25 59.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -173.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -152.19 148.9 28.15 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -168.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -162.09 35.8 0.12 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.012 1.725 . . . . 0.0 111.971 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -152.39 166.14 32.81 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.476 1.51 . . . . 0.0 111.651 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.49 170.68 9.31 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.367 1.467 . . . . 0.0 112.685 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.8 m -84.7 142.93 29.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.649 1.18 . . . . 0.0 112.974 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -56.42 -34.84 67.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.223 1.409 . . . . 0.0 113.301 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.58 -33.31 68.96 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.275 0.943 . . . . 0.0 112.283 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -71.6 -42.35 67.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.427 1.091 . . . . 0.0 110.516 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.34 -43.4 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 110.703 171.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.21 -46.49 88.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.124 0.969 . . . . 0.0 112.148 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.35 -33.12 75.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.708 0.803 . . . . 0.0 112.878 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.19 80.84 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.354 -0.841 . . . . 0.0 112.514 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -69.45 -39.28 77.89 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.915 0.78 . . . . 0.0 112.305 171.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.73 -28.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.042 0.937 . . . . 0.0 112.723 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.87 -39.27 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.006 0.922 . . . . 0.0 112.121 168.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -83.68 -20.34 33.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 73.18 2.04 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.783 1.278 . . . . 0.0 111.237 168.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -64.85 -19.27 65.78 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.403 1.881 . . . . 0.0 115.441 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.46 -18.25 21.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.174 1.39 . . . . 0.0 113.429 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.71 22.68 68.95 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.332 0.968 . . . . 0.0 113.33 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.52 -21.64 48.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.956 1.302 . . . . 0.0 114.346 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.05 7.47 77.36 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.988 1.28 . . . . 0.0 114.047 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -140.71 157.04 46.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.114 1.766 . . . . 0.0 111.924 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -133.4 155.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.642 1.577 . . . . 0.0 109.874 174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.7 m -77.21 143.33 39.08 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.894 -1.129 . . . . 0.0 111.587 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.9 78.02 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.072 -1.017 . . . . 0.0 112.802 178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.74 73.04 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.549 0.74 . . . . 0.0 112.829 172.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -71.28 -44.86 64.41 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.369 1.068 . . . . 0.0 110.54 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.46 -33.62 75.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.079 0.952 . . . . 0.0 112.599 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.5 -51.54 65.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.382 0.673 . . . . 0.0 110.722 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -66.26 -45.19 81.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.874 0.87 . . . . 0.0 112.914 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.97 -17.22 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.248 -0.907 . . . . 0.0 112.691 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -95.63 -18.75 20.29 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.215 1.406 . . . . 0.0 114.264 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -108.47 -20.51 13.09 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.951 1.3 . . . . 0.0 113.183 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -94.88 -38.11 10.87 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.684 1.194 . . . . 0.0 113.072 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.23 154.81 27.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.149 1.38 . . . . 0.0 113.162 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.88 -144.08 33.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.835 1.207 . . . . 0.0 113.441 171.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.7 117.1 23.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.776 1.23 . . . . 0.0 108.433 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -65.04 126.65 28.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.323 -0.861 . . . . 0.0 112.639 -169.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.72 146.31 30.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.258 1.023 . . . . 0.0 110.382 170.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.1 p -71.26 168.13 17.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 122.493 1.139 . . . . 0.0 111.795 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.77 -31.88 62.98 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.573 -1.649 . . . . 0.0 112.244 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.82 -44.76 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.151 0.981 . . . . 0.0 111.874 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.27 -47.38 76.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.538 0.735 . . . . 0.0 111.721 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.91 -33.06 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.438 0.563 . . . . 0.0 111.856 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.94 -48.4 79.05 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.827 0.74 . . . . 0.0 110.708 170.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.29 -41.78 97.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.177 0.591 . . . . 0.0 112.096 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.4 ttm -59.52 -46.34 89.12 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.59 -0.693 . . . . 0.0 112.3 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.3 mm -72.68 -40.92 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.302 0.641 . . . . 0.0 110.955 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.4 ttm-85 -56.49 -35.9 68.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.832 1.253 . . . . 0.0 112.771 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -76.02 -11.69 59.99 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.96 -39.11 7.49 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.864 1.265 . . . . 0.0 113.275 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.36 -15.39 61.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.249 1.819 . . . . 0.0 114.66 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.31 -5.73 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -154.86 147.86 24.66 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.757 1.623 . . . . 0.0 111.879 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.52 -105.05 2.79 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.375 0.988 . . . . 0.0 112.912 176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -159.05 176.61 12.07 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.291 1.836 . . . . 0.0 111.302 -165.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.13 -6.01 51.01 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.28 0.943 . . . . 0.0 114.646 172.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.55 119.34 25.08 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.578 1.189 . . . . 0.0 109.884 162.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -86.87 123.57 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 125.815 1.646 . . . . 0.0 109.245 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -78.79 89.74 4.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.94 0.876 . . . . 0.0 109.124 165.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -66.52 -28.29 68.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.05 -41.2 95.39 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.731 0.813 . . . . 0.0 112.009 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -38.98 75.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.722 0.409 . . . . 0.0 111.905 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.13 -35.89 76.28 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.609 -0.71 . . . . 0.0 112.784 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.33 -61.55 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.803 0.841 . . . . 0.0 110.312 174.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.41 -31.21 71.83 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.9 mtm -62.27 -32.17 72.85 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.012 0.824 . . . . 0.0 113.148 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -93.34 -32.41 14.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.1 p -88.58 -31.44 18.62 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.991 1.268 . . . . 0.0 114.137 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -103.77 165.23 11.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.326 1.05 . . . . 0.0 113.052 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt . . . . . 0 C--O 1.255 1.372 0 C-N-CA 125.705 1.602 . . . . 0.0 112.031 176.732 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 CA-C-O 119.238 -0.756 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.45 151.08 53.03 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.0 3.133 . . . . 0.0 112.014 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -98.62 160.57 20.37 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.002 1.287 . . . . 0.0 112.909 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 30.8 m -64.36 -37.62 88.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.235 1.014 . . . . 0.0 110.854 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.46 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.139 1.776 . . . . 0.0 111.752 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.01 -43.98 81.51 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.338 -0.852 . . . . 0.0 111.881 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.7 m -71.33 -32.43 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.916 -0.49 . . . . 0.0 112.275 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 74.3 m -64.98 -46.84 79.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.179 0.9 . . . . 0.0 111.725 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.55 -44.91 69.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.586 0.754 . . . . 0.0 111.854 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.29 -28.13 67.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 74.6 t -75.18 -39.41 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.181 1.355 . . . . 0.0 111.24 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.88 -41.83 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.534 -0.729 . . . . 0.0 110.593 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -66.34 -36.41 82.85 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.5 1.12 . . . . 0.0 111.58 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -62.38 -43.02 99.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.244 1.017 . . . . 0.0 111.771 172.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.61 86.6 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.948 0.899 . . . . 0.0 112.545 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -67.45 -44.68 78.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.839 0.456 . . . . 0.0 111.65 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -70.02 -26.54 64.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -62.89 -55.21 28.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.478 0.711 . . . . 0.0 110.495 163.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.7 t60 -58.17 -44.06 87.76 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.869 1.268 . . . . 0.0 114.341 -174.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.37 -29.71 64.26 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.95 -40.79 87.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.494 0.718 . . . . 0.0 111.436 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.15 -39.43 78.83 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.202 0.601 . . . . 0.0 111.16 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 38.8 ttm-85 -61.97 -45.88 91.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.754 0.822 . . . . 0.0 112.765 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 66.2 m -92.1 -9.09 43.88 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 64.07 -3.27 0.48 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.201 2.6 . . . . 0.0 114.553 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.6 tttp 74.63 141.02 0.07 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 129.222 3.009 . . . . 0.0 112.14 -171.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 36.5 m80 -76.76 -14.33 59.94 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -120.01 146.18 46.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.968 1.707 . . . . 0.0 111.108 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 48.9 m -94.95 0.3 54.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 80.9 t80 -70.32 -33.19 71.22 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 40.0 tp . . . . . 0 C--O 1.253 1.242 0 C-N-CA 124.811 1.244 . . . . 0.0 112.439 -179.626 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.933 0.397 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -101.88 -1.62 31.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.768 1.227 . . . . 0.0 113.835 -170.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -123.97 143.16 50.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.48 1.512 . . . . 0.0 111.068 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.24 149.76 19.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -87.11 157.82 19.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.579 1.552 . . . . 0.0 111.814 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.49 -37.92 76.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.49 0.716 . . . . 0.0 112.463 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -24.09 63.82 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -84.38 -42.46 15.68 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.908 0.776 . . . . 0.0 110.777 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -56.76 -40.02 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.692 1.197 . . . . 0.0 111.66 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.68 70.96 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.587 1.155 . . . . 0.0 113.654 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.63 -40.15 19.37 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.959 0.904 . . . . 0.0 111.331 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -65.87 -33.64 76.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.318 0.647 . . . . 0.0 112.306 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.84 -44.08 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.044 0.938 . . . . 0.0 112.571 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.98 -31.74 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.936 1.294 . . . . 0.0 112.471 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.4 -39.51 24.86 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.487 -0.758 . . . . 0.0 112.507 171.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -65.71 -38.17 88.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.345 1.058 . . . . 0.0 112.581 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -66.26 -20.88 66.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.88 -24.65 52.57 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.063 -1.023 . . . . 0.0 112.465 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -92.73 -11.34 34.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.347 1.459 . . . . 0.0 112.911 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.24 66.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.91 1.684 . . . . 0.0 111.498 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.29 -28.44 67.18 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.461 1.904 . . . . 0.0 113.309 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.15 -22.7 48.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.324 1.05 . . . . 0.0 113.118 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.22 89.51 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.489 1.519 . . . . 0.0 115.011 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.74 -9.3 56.21 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.157 1.383 . . . . 0.0 113.608 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 20.24 25.88 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.13 1.348 . . . . 0.0 113.458 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.2 p -120.54 150.84 40.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.756 1.622 . . . . 0.0 111.812 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.6 pt -122.93 163.24 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.923 1.289 . . . . 0.0 110.617 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -78.5 166.36 22.68 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.967 0.889 . . . . 0.0 112.118 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -64.75 -28.33 69.51 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.607 1.163 . . . . 0.0 112.329 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -77.78 -35.45 51.56 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -17.9 60.76 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.239 0.927 . . . . 0.0 112.862 174.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -49.58 73.96 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.13 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.46 -28.05 72.59 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.734 0.683 . . . . 0.0 113.253 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -73.58 -50.16 22.64 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.564 1.146 . . . . 0.0 110.495 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.7 -33.18 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 119.584 1.083 . . . . 0.0 112.214 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -55.84 -55.02 37.45 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.031 0.832 . . . . 0.0 111.128 169.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.95 -24.24 59.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.707 0.803 . . . . 0.0 112.97 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -69.68 -36.11 75.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.272 1.029 . . . . 0.0 111.94 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.97 -25.52 43.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 113.006 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.65 17.68 10.95 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.28 1.419 . . . . 0.0 115.195 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.029 1.415 . . . . 0.0 109.033 166.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -122.99 69.63 38.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.462 1.105 . . . . 0.0 111.466 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -71.62 159.56 50.72 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.841 2.361 . . . . 0.0 110.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -69.67 164.42 23.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.692 . . . . 0.0 110.398 165.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.46 -37.99 73.74 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.507 -0.746 . . . . 0.0 111.683 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.91 71.67 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.086 0.954 . . . . 0.0 112.764 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.19 -37.12 77.98 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.241 0.928 . . . . 0.0 111.932 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.07 -49.28 76.57 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 110.76 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -37.9 83.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.478 0.711 . . . . 0.0 111.706 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.02 -36.94 83.22 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -68.2 -38.05 81.56 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.249 0.931 . . . . 0.0 111.015 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -53.62 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.215 0.606 . . . . 0.0 110.164 172.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -57.16 -25.84 59.59 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.259 1.024 . . . . 0.0 113.614 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.57 -26.9 64.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.863 0.865 . . . . 0.0 112.449 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -114.06 -30.05 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.37 27.46 6.22 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.803 1.641 . . . . 0.0 112.651 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.17 -26.16 62.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.915 1.286 . . . . 0.0 113.547 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -82.79 -8.91 59.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.662 1.585 . . . . 0.0 113.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.55 54.6 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.666 1.127 . . . . 0.0 115.79 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.38 -24.92 59.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 1.29 . . . . 0.0 114.149 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.47 9.55 84.68 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.799 1.19 . . . . 0.0 114.225 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.5 p -141.25 158.64 43.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.243 1.817 . . . . 0.0 112.203 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.33 126.54 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 126.555 1.942 . . . . 0.0 108.528 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -87.38 155.34 20.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.443 1.497 . . . . 0.0 111.465 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 30.4 t80 -49.78 -48.54 77.07 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.47 -24.22 42.81 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.181 1.921 . . . . 0.0 113.65 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.74 -42.96 60.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.492 1.042 . . . . 0.0 110.621 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.05 -41.9 93.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.917 1.287 . . . . 0.0 111.843 170.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.15 -33.22 75.28 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.295 -0.878 . . . . 0.0 112.491 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 m -67.3 -46.51 73.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.259 1.024 . . . . 0.0 111.236 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.17 -35.46 80.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.358 0.981 . . . . 0.0 112.197 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.8 mmm -69.61 -41.78 75.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.02 0.928 . . . . 0.0 112.683 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.23 66.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.515 1.526 . . . . 0.0 111.288 173.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.89 -21.07 60.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.731 1.612 . . . . 0.0 114.103 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.86 -17.59 46.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.738 1.215 . . . . 0.0 113.55 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.4 mmt -78.5 152.94 31.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.245 1.018 . . . . 0.0 111.979 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.36 141.2 32.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.765 1.226 . . . . 0.0 112.029 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -97.0 -17.21 20.19 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.032 1.333 . . . . 0.0 113.203 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 t -83.25 -178.89 7.24 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.637 1.575 . . . . 0.0 113.053 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -65.91 149.89 49.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.021 1.728 . . . . 0.0 113.435 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.2 m -79.75 158.98 26.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.408 1.083 . . . . 0.0 113.432 -176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.55 -39.42 70.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.639 1.176 . . . . 0.0 112.46 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.65 -34.21 77.37 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 112.693 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.26 -40.59 70.88 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.231 0.923 . . . . 0.0 110.462 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.83 -43.37 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.627 0.771 . . . . 0.0 110.052 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -66.33 -42.47 88.13 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.88 -35.43 78.31 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.054 0.942 . . . . 0.0 111.756 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.21 91.31 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.824 0.738 . . . . 0.0 111.123 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -63.77 -38.26 90.44 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.733 -0.604 . . . . 0.0 112.439 170.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -69.77 -26.19 64.17 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.88 -34.71 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.194 0.998 . . . . 0.0 111.668 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -87.29 -15.94 36.59 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.65 124.47 22.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.067 0.947 . . . . 0.0 109.923 165.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -80.35 -8.22 59.41 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -134.21 -21.88 1.81 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.949 1.3 . . . . 0.0 113.856 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.17 22.64 51.44 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 124.867 1.222 . . . . 0.0 112.504 -168.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -73.13 -22.3 60.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.765 1.626 . . . . 0.0 114.539 -173.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.09 17.13 33.09 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.24 1.4 . . . . 0.0 113.254 -173.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -143.05 142.88 31.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.362 1.465 . . . . 0.0 112.857 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.11 156.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.22 1.408 . . . . 0.0 110.728 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -78.29 138.75 38.76 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.258 -0.901 . . . . 0.0 111.419 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.14 72.36 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.148 -0.97 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.99 82.12 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.178 -0.951 . . . . 0.0 112.722 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 -45.49 68.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.588 0.755 . . . . 0.0 110.496 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.82 -34.19 72.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.538 1.135 . . . . 0.0 112.568 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.15 -46.19 68.2 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.829 0.852 . . . . 0.0 111.19 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -71.06 -43.57 67.53 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.147 0.979 . . . . 0.0 113.308 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.18 -44.04 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 118.928 0.785 . . . . 0.0 111.588 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -67.95 -26.61 66.04 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.309 1.043 . . . . 0.0 113.663 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -95.66 -3.56 45.94 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.58 -19.92 0.84 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.26 152.52 24.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.054 1.297 . . . . 0.0 111.567 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.5 -145.57 49.98 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.806 0.717 . . . . 0.0 111.712 -172.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.62 135.22 36.52 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 161.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.13 129.86 40.55 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.097 -1.002 . . . . 0.0 112.716 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.93 149.05 32.45 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 110.991 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -74.92 153.53 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.467 1.107 . . . . 0.0 111.398 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.48 -42.89 79.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.59 1.156 . . . . 0.0 111.748 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.64 -11.99 61.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 113.463 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -96.49 -53.97 3.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.446 1.498 . . . . 0.0 110.275 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -65.79 -30.96 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.655 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.4 -29.42 67.16 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.991 -1.068 . . . . 0.0 112.191 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.34 -38.69 55.56 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.508 0.723 . . . . 0.0 111.438 170.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttm -55.14 -48.16 74.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.081 0.552 . . . . 0.0 110.781 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.35 -39.34 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.017 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -56.4 -41.56 76.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.669 1.122 . . . . 0.0 112.356 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -82.05 -19.7 39.78 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.18 -34.8 12.78 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.98 -23.41 48.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.7 1.2 . . . . 0.0 114.011 -172.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -60.94 139.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.308 1.043 . . . . 0.0 112.961 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 t70 70.48 -24.71 0.16 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.564 2.746 . . . . 0.0 114.678 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.09 160.71 38.87 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.426 1.489 . . . . 0.0 113.87 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.02 38.35 0.88 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.239 1.816 . . . . 0.0 112.313 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.93 -9.62 65.39 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.045 1.307 . . . . 0.0 114.191 -171.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -100.49 136.96 39.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.966 1.306 . . . . 0.0 109.712 171.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.31 121.74 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 126.22 1.808 . . . . 0.0 109.181 -174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -77.78 78.15 4.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.351 1.06 . . . . 0.0 110.382 165.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -58.39 -21.27 49.78 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -56.58 -40.37 75.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.117 0.967 . . . . 0.0 111.833 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -75.24 -33.8 61.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.352 1.061 . . . . 0.0 111.153 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -64.78 -39.71 94.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 111.937 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.13 -45.22 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.332 0.653 . . . . 0.0 110.838 171.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -62.96 -40.98 99.32 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.343 0.52 . . . . 0.0 111.837 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.62 -35.37 79.37 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.314 -0.867 . . . . 0.0 112.483 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.0 mtm -71.05 -38.53 72.53 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.7 p -91.17 -15.21 29.71 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.4 163.01 11.44 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.534 1.134 . . . . 0.0 113.993 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.139 2.175 . . . . 0.0 112.253 -175.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.86 171.24 18.65 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.826 3.017 . . . . 0.0 112.978 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -79.03 -78.36 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.612 1.101 . . . . 0.0 112.805 -172.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 24.7 m -80.26 -39.56 28.68 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.287 0.635 . . . . 0.0 111.365 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -57.73 -38.23 74.95 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.598 1.959 . . . . 0.0 112.381 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.61 -41.96 78.8 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.8 -0.562 . . . . 0.0 111.975 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.8 m -83.81 -27.16 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.53 0.732 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 64.6 m -61.95 -41.01 97.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.09 -1.006 . . . . 0.0 111.425 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.78 70.68 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.8 -40.1 76.18 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.805 0.842 . . . . 0.0 112.792 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 77.3 t -70.11 -36.12 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.955 0.798 . . . . 0.0 111.487 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -50.96 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.504 0.593 . . . . 0.0 111.576 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.66 -27.27 63.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.55 -43.06 97.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.047 0.839 . . . . 0.0 111.485 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.34 75.07 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.543 0.737 . . . . 0.0 111.541 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.97 -44.42 92.79 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.65 -39.68 88.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.641 0.776 . . . . 0.0 112.402 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.88 -34.64 78.88 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.558 0.617 . . . . 0.0 112.24 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.41 -47.85 66.19 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 112.72 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.64 -31.69 70.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.197 0.908 . . . . 0.0 113.053 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.39 -27.48 67.46 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.321 0.649 . . . . 0.0 112.436 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -76.11 -22.16 55.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.271 0.942 . . . . 0.0 112.605 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -83.65 -38.91 20.92 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.101 0.96 . . . . 0.0 112.039 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 60.9 m -83.68 -31.4 26.14 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 66.13 -57.04 0.36 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 130.274 3.43 . . . . 0.0 112.763 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -82.77 154.79 24.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.336 1.455 . . . . 0.0 111.898 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 35.1 p80 -80.38 164.17 23.31 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.091 0.957 . . . . 0.0 112.568 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -81.95 173.64 12.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.423 1.089 . . . . 0.0 112.255 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 52.7 m -129.23 151.79 49.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.643 1.177 . . . . 0.0 111.507 172.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -90.24 -18.66 25.27 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -168.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.372 1.469 . . . . 0.0 114.183 -179.45 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.006 0.432 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -96.04 16.33 18.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.004 1.722 . . . . 0.0 112.902 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -155.5 137.9 14.91 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.225 1.81 . . . . 0.0 109.722 -172.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tp -78.02 148.13 34.5 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.599 1.159 . . . . 0.0 111.98 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -104.43 159.17 15.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.46 -32.23 73.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.332 0.653 . . . . 0.0 112.735 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.18 -27.03 64.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 112.747 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.74 -44.17 34.24 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.582 -0.698 . . . . 0.0 109.885 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.48 -43.76 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.101 0.961 . . . . 0.0 111.023 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -76.7 -48.01 20.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.034 1.334 . . . . 0.0 110.958 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -66.47 -26.08 67.02 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.56 -39.56 84.43 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.609 0.764 . . . . 0.0 112.298 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.75 -34.39 73.75 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.29 -43.03 61.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.455 0.571 . . . . 0.0 112.321 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.92 -40.56 95.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.417 1.087 . . . . 0.0 111.768 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 m -70.12 -15.65 63.0 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -29.13 62.45 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.667 1.121 . . . . 0.0 112.355 172.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -87.84 -13.42 42.18 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.501 1.521 . . . . 0.0 113.196 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -76.38 76.79 3.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.926 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -73.44 -23.35 60.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.153 1.381 . . . . 0.0 113.508 -176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.4 -19.56 27.92 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.011 1.325 . . . . 0.0 113.707 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.91 11.65 81.08 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.939 1.257 . . . . 0.0 114.536 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.13 -4.67 51.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.571 1.548 . . . . 0.0 113.665 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.63 21.71 46.37 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.901 1.239 . . . . 0.0 114.092 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -126.45 159.33 33.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.431 1.492 . . . . 0.0 111.43 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.13 160.22 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.708 1.203 . . . . 0.0 110.649 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -70.92 149.14 47.02 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 166.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.7 p -56.26 -31.86 63.98 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.983 0.913 . . . . 0.0 112.189 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.75 -23.43 66.09 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.725 1.21 . . . . 0.0 114.166 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.86 -10.05 55.99 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.004 0.922 . . . . 0.0 113.015 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.73 -48.33 82.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.69 1.132 . . . . 0.0 111.131 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.8 -26.6 67.21 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-O 119.404 -0.665 . . . . 0.0 112.255 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -75.56 -48.75 21.04 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.945 1.298 . . . . 0.0 111.15 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.27 -34.76 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-N 120.15 1.341 . . . . 0.0 111.464 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.9 mtp -64.58 -40.3 95.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.579 0.627 . . . . 0.0 111.729 173.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -66.49 -39.83 88.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.311 1.045 . . . . 0.0 112.59 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -64.66 -26.23 68.3 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.114 -0.991 . . . . 0.0 113.22 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -89.0 11.03 19.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.732 1.613 . . . . 0.0 113.495 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.17 9.91 86.61 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.648 1.118 . . . . 0.0 115.219 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -88.77 148.24 24.04 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.327 1.063 . . . . 0.0 109.915 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -131.09 66.18 78.37 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.839 0.856 . . . . 0.0 112.573 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.26 151.52 71.92 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.816 2.344 . . . . 0.0 110.807 170.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 p -72.76 168.84 17.96 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.826 0.851 . . . . 0.0 110.55 166.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.87 -35.27 72.71 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.915 -0.49 . . . . 0.0 111.293 170.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.57 66.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.156 0.982 . . . . 0.0 112.246 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -60.41 -42.32 95.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.609 0.764 . . . . 0.0 111.567 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.61 -47.24 73.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.866 0.867 . . . . 0.0 111.451 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.93 -35.68 80.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.46 0.573 . . . . 0.0 112.247 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -64.56 -34.92 79.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.291 1.036 . . . . 0.0 113.172 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.2 mtm -77.59 -36.85 51.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.428 0.558 . . . . 0.0 111.313 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.99 -61.02 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.233 1.013 . . . . 0.0 110.887 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.28 -19.11 65.19 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.59 1.086 . . . . 0.0 113.686 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -68.47 -36.83 79.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.597 1.159 . . . . 0.0 112.557 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.1 -30.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.498 0.719 . . . . 0.0 112.644 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -90.51 32.99 0.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.601 1.561 . . . . 0.0 112.39 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.67 67.51 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.805 1.242 . . . . 0.0 113.475 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -82.86 -11.2 58.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.763 1.225 . . . . 0.0 113.698 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.68 78.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.909 1.242 . . . . 0.0 115.323 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -71.39 -20.49 62.13 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.931 1.366 . . . . 0.0 114.25 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.97 15.46 72.52 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.115 1.341 . . . . 0.0 113.765 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 p -134.85 159.38 41.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 112.746 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 mt -131.67 132.6 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.44 1.896 . . . . 0.0 108.948 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.06 153.85 18.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.426 1.49 . . . . 0.0 111.205 174.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.41 -44.19 98.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -171.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.07 -32.31 91.67 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.044 2.496 . . . . 0.0 114.273 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.06 -41.43 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.12 0.968 . . . . 0.0 110.745 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -62.7 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.336 1.055 . . . . 0.0 112.054 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.81 -27.88 68.58 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.184 -0.947 . . . . 0.0 112.999 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -37.67 88.38 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.993 0.917 . . . . 0.0 110.902 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.8 mtt -60.71 -48.19 82.89 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.361 0.665 . . . . 0.0 110.985 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.72 -48.04 78.67 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.443 1.097 . . . . 0.0 111.925 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.72 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.247 1.019 . . . . 0.0 113.256 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -68.99 -43.59 74.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.126 1.371 . . . . 0.0 113.033 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -87.92 -5.57 58.49 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mmt -65.4 -17.44 64.54 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.19 113.33 10.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.307 -0.871 . . . . 0.0 112.164 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -149.95 -0.33 0.45 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.941 1.296 . . . . 0.0 114.142 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -81.18 153.73 27.06 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.961 1.304 . . . . 0.0 111.959 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -78.23 162.42 26.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.1 1.36 . . . . 0.0 112.462 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -60.42 126.79 28.8 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -165.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.59 -37.07 84.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.724 0.809 . . . . 0.0 111.494 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.56 -35.9 82.2 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.724 0.81 . . . . 0.0 112.158 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.14 -38.61 88.56 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.702 0.801 . . . . 0.0 111.033 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.19 -38.99 64.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.419 1.088 . . . . 0.0 110.604 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.76 -45.77 84.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.81 -25.23 64.57 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.737 0.699 . . . . 0.0 112.376 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.98 99.19 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.582 -0.699 . . . . 0.0 110.901 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -64.88 -36.77 85.42 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 170.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -65.23 -30.49 71.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.807 0.843 . . . . 0.0 113.197 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.61 -33.8 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-N 119.456 1.025 . . . . 0.0 111.774 170.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -97.79 2.49 49.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.448 1.499 . . . . 0.0 114.126 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -76.21 133.26 40.18 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.425 1.09 . . . . 0.0 110.479 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -16.77 64.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -145.23 -19.67 0.49 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.531 1.532 . . . . 0.0 114.026 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.43 23.6 36.41 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.767 1.175 . . . . 0.0 112.063 -166.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.57 -19.82 57.48 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.237 1.415 . . . . 0.0 114.402 -170.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.27 16.88 31.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.855 1.693 . . . . 0.0 113.714 -174.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -145.36 141.37 28.43 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.463 1.505 . . . . 0.0 112.133 -172.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 pt -132.84 153.67 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.266 1.426 . . . . 0.0 110.745 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -78.22 136.21 37.75 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.004 -1.06 . . . . 0.0 111.173 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.93 74.53 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.2 -0.937 . . . . 0.0 113.218 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.6 83.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.16 0.984 . . . . 0.0 112.702 173.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -68.18 -44.28 76.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.812 0.845 . . . . 0.0 110.122 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.31 -51.95 66.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.411 1.084 . . . . 0.0 110.511 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -54.94 -44.96 74.77 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.371 1.068 . . . . 0.0 111.896 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.73 -43.22 84.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.945 0.898 . . . . 0.0 113.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.0 -43.71 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.978 . . . . 0.0 110.433 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.0 mmt -74.16 -16.94 60.98 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.6 p -108.4 -16.59 14.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.933 1.293 . . . . 0.0 113.531 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.07 -49.35 3.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.422 1.089 . . . . 0.0 112.961 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.44 143.07 27.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.163 1.385 . . . . 0.0 112.407 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.98 -157.52 52.32 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 125.028 1.299 . . . . 0.0 113.526 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.19 147.93 50.6 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.309 -0.524 . . . . 0.0 109.93 161.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -94.2 149.77 20.93 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -163.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.97 134.06 36.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.461 1.504 . . . . 0.0 109.435 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -70.52 155.95 40.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.824 1.249 . . . . 0.0 110.468 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.11 -41.65 65.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.711 1.204 . . . . 0.0 112.961 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.41 -14.13 60.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.655 1.182 . . . . 0.0 113.147 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -94.94 -51.7 4.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.547 1.539 . . . . 0.0 110.717 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.05 -32.54 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.392 -0.817 . . . . 0.0 112.579 -173.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.12 -47.1 72.16 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.819 0.736 . . . . 0.0 110.682 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.78 -37.14 80.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.129 0.972 . . . . 0.0 112.49 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.4 ttm -57.48 -29.43 64.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.895 0.878 . . . . 0.0 112.46 172.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.59 -39.68 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.482 0.713 . . . . 0.0 111.606 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -59.15 -31.46 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.176 1.353 . . . . 0.0 112.626 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -83.68 -6.79 59.53 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.183 0.993 . . . . 0.0 113.625 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.93 -35.07 7.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.887 1.675 . . . . 0.0 113.303 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.18 -15.06 62.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.522 1.929 . . . . 0.0 113.812 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.7 pt -62.45 -11.72 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.215 1.806 . . . . 0.0 114.849 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.01 -15.43 62.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.245 1.018 . . . . 0.0 113.229 172.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 4.34 52.83 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.559 1.383 . . . . 0.0 116.559 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -158.36 178.56 10.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.376 1.47 . . . . 0.0 112.425 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.11 -10.15 81.01 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-O 118.371 -1.239 . . . . 0.0 116.092 -171.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -90.28 126.52 35.87 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.698 1.749 . . . . 0.0 110.644 170.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.94 123.24 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.946 1.698 . . . . 0.0 108.734 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -78.03 85.03 4.26 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 164.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -64.93 -23.13 67.13 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -170.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.42 -35.35 75.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.557 1.143 . . . . 0.0 112.314 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.17 -40.3 24.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.45 0.7 . . . . 0.0 111.028 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.7 -41.51 86.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.85 0.75 . . . . 0.0 112.874 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.94 -51.77 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.307 0.643 . . . . 0.0 110.79 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -71.78 -28.29 63.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.6 -34.29 76.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -91.96 -25.57 18.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 51.5 p -75.41 -23.61 57.03 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.449 1.477 . . . . 0.0 112.46 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.36 163.25 28.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.446 1.099 . . . . 0.0 113.371 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.1 pttt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.749 2.02 . . . . 0.0 113.493 173.133 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 CA-C-O 119.103 -0.832 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -60.31 160.38 23.51 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.076 3.851 . . . . 0.0 113.666 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 96.3 -159.12 21.83 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 124.19 0.9 . . . . 0.0 113.345 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 57.5 m -122.01 -28.16 4.47 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.32 1.448 . . . . 0.0 112.77 -176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.55 -31.95 66.61 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 0.0 113.662 -164.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.42 -27.49 34.7 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.998 -1.064 . . . . 0.0 113.361 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 20.4 m -92.74 -34.01 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.056 0.844 . . . . 0.0 111.941 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 13.9 p -63.27 -38.3 90.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.56 -0.712 . . . . 0.0 111.681 171.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.52 67.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.806 171.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -79.78 -29.72 40.45 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 56.7 t -65.38 -39.36 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.296 0.953 . . . . 0.0 110.973 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.01 -41.4 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 121.814 -0.553 . . . . 0.0 110.89 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.99 -37.49 86.07 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.493 0.717 . . . . 0.0 111.878 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.5 -46.54 83.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.202 1.001 . . . . 0.0 112.178 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.53 77.56 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.021 . . . . 0.0 111.865 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.48 -39.22 88.65 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.457 0.703 . . . . 0.0 112.752 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.7 -35.57 75.19 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.267 -0.896 . . . . 0.0 112.441 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.21 -33.52 75.95 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.282 0.947 . . . . 0.0 111.964 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.07 -49.59 67.07 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.34 0.973 . . . . 0.0 112.249 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.81 -18.32 64.0 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.66 -29.54 68.12 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.489 1.04 . . . . 0.0 112.715 173.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.43 -30.81 29.85 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.99 0.814 . . . . 0.0 111.9 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -78.56 -37.89 41.61 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.522 1.129 . . . . 0.0 112.777 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.1 m -126.64 -0.15 6.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 -167.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? 68.97 -19.85 0.16 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 128.76 2.824 . . . . 0.0 115.556 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 12.0 mtmm 156.56 -38.43 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 1 C-N-CA 132.707 4.403 . . . . 0.0 111.24 177.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -169.03 148.89 4.17 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.855 2.462 . . . . 0.0 109.739 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -63.87 151.67 41.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.793 0.837 . . . . 0.0 112.916 176.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 76.7 p -164.53 -169.29 1.72 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.358 1.463 . . . . 0.0 111.737 -174.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -74.03 -11.16 60.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.562 1.145 . . . . 0.0 113.921 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.874 1.67 . . . . 0.0 111.7 -178.464 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.576 0.227 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -111.66 9.93 21.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.774 1.23 . . . . 0.0 112.73 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -170.53 158.99 6.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.629 1.972 . . . . 0.0 109.212 -170.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.27 157.87 36.24 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.347 -0.846 . . . . 0.0 111.663 162.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -133.17 165.49 24.65 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.491 1.916 . . . . 0.0 110.3 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.44 -38.82 69.53 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.193 0.997 . . . . 0.0 112.718 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.18 -22.85 61.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.427 1.091 . . . . 0.0 113.472 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -81.52 -45.23 16.23 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.506 -0.746 . . . . 0.0 110.068 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.88 -38.81 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.226 1.411 . . . . 0.0 111.389 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.96 68.54 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 113.599 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.94 -42.2 11.33 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.963 0.905 . . . . 0.0 111.623 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.92 -29.39 70.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -61.06 -32.74 72.37 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 173.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.66 -23.65 58.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.781 0.833 . . . . 0.0 112.934 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.83 -36.2 21.77 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.47 0.577 . . . . 0.0 111.633 169.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -69.19 -38.07 78.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.73 0.812 . . . . 0.0 112.38 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -63.91 -24.93 67.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -20.5 53.21 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -96.37 -21.5 17.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.016 1.326 . . . . 0.0 111.961 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.33 59.81 1.07 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.458 1.903 . . . . 0.0 111.248 167.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.37 -21.44 62.87 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.447 1.099 . . . . 0.0 113.48 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.67 -21.91 47.55 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.13 1.372 . . . . 0.0 112.832 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 5.35 89.7 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.801 1.667 . . . . 0.0 115.369 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -84.92 -10.74 56.78 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.988 1.315 . . . . 0.0 113.744 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 23.18 17.84 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.117 1.341 . . . . 0.0 113.499 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -129.12 149.97 50.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.731 1.612 . . . . 0.0 112.144 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 pt -117.13 160.31 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.726 1.211 . . . . 0.0 110.541 165.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 152.39 41.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -56.56 -30.71 63.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.227 1.011 . . . . 0.0 111.949 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.72 -34.81 77.6 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 113.305 173.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 -18.72 47.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.536 1.134 . . . . 0.0 112.562 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.75 -43.11 80.42 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.196 -0.94 . . . . 0.0 111.438 170.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.66 -15.3 57.35 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 118.779 -1.012 . . . . 0.0 113.675 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -95.94 -38.84 10.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.299 1.44 . . . . 0.0 111.605 172.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.45 -32.04 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 120.6 1.545 . . . . 0.0 112.074 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mmm -63.34 -39.03 93.41 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.527 0.603 . . . . 0.0 111.53 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -66.98 -40.42 87.42 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.642 0.777 . . . . 0.0 112.549 172.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -65.26 -27.77 68.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.203 1.001 . . . . 0.0 112.809 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.7 mt -89.1 2.52 53.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.552 1.541 . . . . 0.0 112.801 173.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.43 75.25 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 115.446 171.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.72 159.67 17.69 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.937 1.368 . . . . 0.0 111.766 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -134.76 69.94 71.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.119 1.368 . . . . 0.0 111.836 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.46 141.19 38.02 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.088 1.859 . . . . 0.0 109.538 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m -75.48 161.96 28.74 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 165.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -32.01 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.25 74.62 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.076 -1.015 . . . . 0.0 113.486 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.95 -38.27 79.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.243 0.929 . . . . 0.0 111.098 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 tp -64.92 -45.34 86.26 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.953 0.901 . . . . 0.0 110.782 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.27 -41.01 96.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.335 0.654 . . . . 0.0 111.67 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.25 -41.33 98.34 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 ptp -71.32 -32.87 69.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.894 0.77 . . . . 0.0 111.85 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.46 -53.89 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.226 1.01 . . . . 0.0 110.287 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -52.43 -32.92 41.62 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.546 1.066 . . . . 0.0 112.988 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.16 -18.02 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.322 1.049 . . . . 0.0 113.564 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.68 -27.47 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -96.54 24.58 5.79 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.911 1.684 . . . . 0.0 112.523 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.86 65.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.339 1.455 . . . . 0.0 113.892 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -82.72 -9.35 59.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.816 1.646 . . . . 0.0 113.184 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.97 26.99 47.31 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.174 1.368 . . . . 0.0 114.789 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -72.82 -30.07 63.75 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.467 1.134 . . . . 0.0 113.651 -174.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.71 6.4 89.4 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.181 1.372 . . . . 0.0 113.78 -174.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -140.08 158.17 44.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.43 1.892 . . . . 0.0 111.234 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.79 124.01 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.763 1.625 . . . . 0.0 108.663 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.29 153.23 36.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.902 1.281 . . . . 0.0 111.574 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -49.23 -49.71 68.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.582 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.34 -28.33 63.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.058 1.839 . . . . 0.0 114.098 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.45 -40.99 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.676 1.125 . . . . 0.0 111.007 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -58.49 -44.09 89.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.897 0.879 . . . . 0.0 111.451 170.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.27 -34.06 77.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.337 -0.852 . . . . 0.0 112.288 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -45.35 82.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.434 1.094 . . . . 0.0 111.663 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ptp -62.92 -29.99 71.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.933 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 71.2 mtp -73.77 -48.77 29.24 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.109 0.563 . . . . 0.0 111.046 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.36 70.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.492 1.117 . . . . 0.0 113.884 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -78.05 -31.19 50.21 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.65 1.18 . . . . 0.0 112.854 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.44 -22.16 18.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.0 mmt -73.27 99.68 2.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.498 1.519 . . . . 0.0 110.192 170.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -139.99 153.55 46.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.787 1.235 . . . . 0.0 112.17 -173.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.6 -10.26 59.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.277 1.031 . . . . 0.0 113.39 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -137.43 -176.86 4.54 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.894 2.077 . . . . 0.0 110.329 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.62 171.05 20.82 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.322 1.449 . . . . 0.0 112.751 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -63.17 123.18 17.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -156.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.43 -41.12 88.83 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.462 -0.774 . . . . 0.0 111.98 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.74 -33.74 76.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.911 0.884 . . . . 0.0 112.158 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.79 -41.34 78.88 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 111.012 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.57 -40.06 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.502 0.721 . . . . 0.0 110.427 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -62.36 -40.16 95.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.097 0.959 . . . . 0.0 112.405 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.52 -35.82 80.6 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.815 0.734 . . . . 0.0 111.988 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.88 89.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.196 0.598 . . . . 0.0 112.149 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.39 -34.61 74.78 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -60.8 -34.99 75.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.8 -19.93 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -85.61 -11.85 52.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 113.005 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -83.94 123.71 30.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.181 0.992 . . . . 0.0 109.71 170.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -71.1 -16.2 62.55 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.5 -19.93 3.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.441 1.496 . . . . 0.0 114.004 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.59 24.27 47.1 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.653 1.12 . . . . 0.0 112.746 -168.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.01 -24.74 60.78 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.46 1.504 . . . . 0.0 114.372 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.45 44.32 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.61 1.576 . . . . 0.0 113.651 -174.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.06 142.05 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.931 1.293 . . . . 0.0 113.847 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.47 160.03 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.517 1.927 . . . . 0.0 110.292 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -73.66 147.12 44.0 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.766 -1.209 . . . . 0.0 111.893 173.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.79 81.48 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.889 -1.132 . . . . 0.0 112.427 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.25 66.09 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.282 -0.886 . . . . 0.0 111.48 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.97 -46.03 90.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.947 1.299 . . . . 0.0 111.153 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.3 -46.22 90.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.775 0.83 . . . . 0.0 111.346 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -60.44 -39.62 88.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.119 0.568 . . . . 0.0 112.026 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.5 -52.66 20.33 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.571 0.748 . . . . 0.0 112.248 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.78 -27.29 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.249 0.931 . . . . 0.0 112.739 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.2 mmt -77.95 -27.24 49.24 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.1 p -91.83 -33.79 14.81 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.309 0.959 . . . . 0.0 112.255 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -82.28 -49.22 10.3 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.07 142.43 32.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.719 0.807 . . . . 0.0 112.254 -172.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.02 -146.28 39.44 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.867 1.223 . . . . 0.0 112.445 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.39 155.27 32.99 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.255 0.55 . . . . 0.0 110.449 163.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.77 126.58 33.54 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.674 -1.266 . . . . 0.0 112.521 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.37 142.04 33.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.788 1.235 . . . . 0.0 108.635 163.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.1 p -82.3 163.98 21.43 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.835 0.826 . . . . 0.0 112.912 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.8 -42.46 93.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.648 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.74 -20.39 63.51 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -86.68 -54.21 4.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.895 1.278 . . . . 0.0 110.125 172.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.94 -33.48 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.333 -0.854 . . . . 0.0 112.305 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.42 -30.98 70.0 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.715 1.143 . . . . 0.0 111.993 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.18 -41.59 73.53 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.45 0.7 . . . . 0.0 110.737 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.5 ttm -58.42 -48.53 80.37 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.708 0.803 . . . . 0.0 111.2 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.88 -39.85 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.594 0.757 . . . . 0.0 111.386 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -60.38 -45.44 93.52 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.296 0.953 . . . . 0.0 111.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -77.21 -21.62 53.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.76 44.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.818 0.847 . . . . 0.0 112.298 171.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.42 -31.56 72.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.099 1.359 . . . . 0.0 113.551 -174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.9 pt -75.15 -15.25 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.1 -29.91 10.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.254 1.422 . . . . 0.0 113.364 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -84.59 -156.4 24.89 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.379 1.466 . . . . 0.0 114.05 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -148.71 44.14 1.01 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 110.598 -174.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.76 -41.24 2.54 Favored Glycine 0 N--CA 1.478 1.481 0 C-N-CA 125.589 1.566 . . . . 0.0 111.684 -169.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -81.23 137.56 35.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.644 0.778 . . . . 0.0 109.114 155.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -88.18 123.9 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.924 1.69 . . . . 0.0 109.478 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -77.86 90.36 4.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 164.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -66.07 -26.89 67.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.07 -42.96 93.68 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.322 1.049 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -75.51 -29.52 59.52 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.225 1.01 . . . . 0.0 112.56 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.75 -39.6 91.23 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.185 -0.947 . . . . 0.0 112.94 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.44 -38.38 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.464 -0.773 . . . . 0.0 111.456 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -67.25 -21.37 65.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.0 mtm -84.57 -39.14 19.1 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.268 1.027 . . . . 0.0 112.192 168.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.4 ttm -63.73 -35.31 80.15 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 113.246 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.4 p -79.62 -11.87 59.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.31 167.02 18.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.766 1.227 . . . . 0.0 112.659 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.5 mttm . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.478 1.511 . . . . 0.0 110.993 169.427 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 118.565 -1.131 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.1 154.04 57.3 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.832 3.021 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -81.22 0.21 87.93 Favored Glycine 0 N--CA 1.478 1.475 0 C-N-CA 124.239 0.923 . . . . 0.0 115.404 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 33.2 p -119.75 -83.63 0.65 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.077 1.751 . . . . 0.0 111.287 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -49.75 -36.19 24.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 113.773 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.29 -35.07 75.63 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.72 0.808 . . . . 0.0 112.785 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.2 m -93.26 -29.03 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.821 0.849 . . . . 0.0 112.147 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 70.7 m -59.36 -39.93 84.85 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.083 -1.011 . . . . 0.0 111.606 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.51 78.54 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.084 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.0 mtm -65.83 -30.35 70.96 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.3 t -63.73 -45.36 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.195 0.907 . . . . 0.0 110.732 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.13 -41.43 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.759 -0.588 . . . . 0.0 111.09 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.65 -46.16 77.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 111.582 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -60.09 -47.62 85.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.082 0.953 . . . . 0.0 111.697 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.94 94.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.994 0.518 . . . . 0.0 111.723 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.55 -43.66 93.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.527 0.731 . . . . 0.0 112.424 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.36 -41.93 98.86 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.433 -0.792 . . . . 0.0 112.024 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.179 0.992 . . . . 0.0 112.365 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.94 -45.79 92.17 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.127 0.971 . . . . 0.0 113.143 170.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.28 -35.83 72.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.823 1.249 . . . . 0.0 113.322 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.06 -23.74 66.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -81.09 -37.02 29.66 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.77 0.714 . . . . 0.0 111.535 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -98.27 -18.98 18.08 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 97.0 p -86.32 -33.4 20.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.709 1.14 . . . . 0.0 113.538 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.49 12.26 3.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.579 2.352 . . . . 0.0 114.292 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 31.1 mtpp -75.45 163.41 27.44 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.708 -1.245 . . . . 0.0 112.977 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -131.16 145.83 52.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.329 1.452 . . . . 0.0 111.423 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -74.72 -7.68 54.07 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 25.7 p -76.05 -26.27 56.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.559 1.144 . . . . 0.0 113.002 170.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 27.3 m-85 70.8 -29.5 0.19 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 129.139 2.976 . . . . 0.0 115.349 173.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.257 1.483 0 C-N-CA 125.943 1.697 . . . . 0.0 112.963 177.871 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.576 0.227 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -114.31 7.99 16.59 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.585 1.554 . . . . 0.0 112.661 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -139.4 179.64 6.42 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.891 1.676 . . . . 0.0 110.772 -172.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -54.18 144.71 19.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.957 1.303 . . . . 0.0 113.643 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 p -82.54 163.43 21.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.822 1.249 . . . . 0.0 111.433 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.96 -34.33 73.13 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -25.71 50.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.07 -48.21 53.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.933 0.788 . . . . 0.0 110.137 167.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -55.97 -44.59 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.528 1.131 . . . . 0.0 110.933 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.46 71.34 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.72 -44.38 20.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.609 1.164 . . . . 0.0 111.192 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.08 -28.76 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.146 -0.971 . . . . 0.0 112.659 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.97 -38.68 76.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.314 1.045 . . . . 0.0 112.781 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -65.38 -40.49 93.56 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.578 0.751 . . . . 0.0 111.883 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.81 -43.11 63.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.341 0.656 . . . . 0.0 112.229 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.58 -39.57 93.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.245 1.018 . . . . 0.0 112.106 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -66.24 -22.05 66.31 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -27.92 64.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.534 1.061 . . . . 0.0 111.813 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -95.45 -5.06 43.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.148 1.779 . . . . 0.0 113.436 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.8 68.09 3.8 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.197 1.799 . . . . 0.0 110.971 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -65.51 -23.14 66.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.699 1.6 . . . . 0.0 114.978 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.69 -18.58 24.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.849 1.26 . . . . 0.0 113.282 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.02 90.38 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.267 1.413 . . . . 0.0 114.777 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -7.3 53.34 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.286 1.434 . . . . 0.0 113.683 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.18 28.08 9.54 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.986 1.279 . . . . 0.0 113.783 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 p -130.9 137.24 49.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.474 1.51 . . . . 0.0 111.477 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.64 159.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.012 0.925 . . . . 0.0 110.823 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -73.7 150.78 41.01 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -60.57 -37.95 83.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.174 0.99 . . . . 0.0 112.434 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.59 -25.92 67.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.34 -11.78 59.93 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.523 1.129 . . . . 0.0 112.836 175.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.38 -44.3 92.78 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 121.134 -0.979 . . . . 0.0 110.947 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -21.81 63.7 Favored Glycine 0 N--CA 1.471 1.02 0 C-N-CA 123.854 0.74 . . . . 0.0 113.0 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -83.36 -47.26 11.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.2 1.4 . . . . 0.0 111.313 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.62 -28.96 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.888 1.222 . . . . 0.0 111.884 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -53.42 -52.44 59.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.77 1.228 . . . . 0.0 110.851 166.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -72.41 -29.38 63.68 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.055 0.942 . . . . 0.0 113.346 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -63.44 -23.42 67.39 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.464 1.029 . . . . 0.0 113.12 167.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.91 15.89 27.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.885 1.674 . . . . 0.0 112.538 173.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.47 86.66 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.07 1.319 . . . . 0.0 115.734 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -89.74 130.92 35.93 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.907 1.283 . . . . 0.0 109.869 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -125.83 68.57 62.83 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.082 0.953 . . . . 0.0 112.231 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.67 152.51 42.63 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.604 2.87 . . . . 0.0 110.93 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -67.15 168.0 11.07 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 122.281 -0.262 . . . . 0.0 110.98 166.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.68 -36.49 72.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.497 -0.752 . . . . 0.0 111.613 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.46 67.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.194 0.997 . . . . 0.0 112.467 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.21 -34.38 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.081 0.855 . . . . 0.0 111.805 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -68.72 -47.73 65.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.695 0.798 . . . . 0.0 110.834 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.62 -36.57 78.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.751 0.82 . . . . 0.0 111.622 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.04 -34.51 77.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.137 0.975 . . . . 0.0 113.132 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.4 mtm -76.88 -41.16 44.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.54 -59.01 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.558 1.143 . . . . 0.0 110.892 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.95 -18.15 63.35 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.95 -45.52 67.26 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.31 1.044 . . . . 0.0 111.287 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.2 -33.19 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -107.62 56.07 0.64 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.41 1.484 . . . . 0.0 111.023 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.98 -22.95 66.5 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.265 1.026 . . . . 0.0 113.742 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.16 -15.35 44.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.325 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.38 41.1 9.42 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.471 1.034 . . . . 0.0 114.066 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -69.51 -26.72 64.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.669 1.188 . . . . 0.0 113.211 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 10.31 79.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.107 1.337 . . . . 0.0 113.217 -171.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -139.01 157.63 45.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.871 1.669 . . . . 0.0 112.314 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.52 134.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.081 1.752 . . . . 0.0 109.459 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.11 151.14 20.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.28 1.432 . . . . 0.0 111.513 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -52.89 -49.35 87.49 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.01 -25.42 51.75 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.084 1.856 . . . . 0.0 113.676 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -73.9 -42.96 59.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.633 1.106 . . . . 0.0 111.094 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.29 -42.5 91.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.614 1.166 . . . . 0.0 111.885 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.92 -34.31 77.83 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.78 -47.09 76.32 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.364 1.066 . . . . 0.0 111.5 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -63.81 -29.57 70.76 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.5 mmm -74.95 -41.31 59.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.099 0.96 . . . . 0.0 112.101 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.45 -50.16 74.73 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.24 1.416 . . . . 0.0 112.484 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.99 -19.66 53.56 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.402 1.881 . . . . 0.0 114.19 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -83.84 -26.51 29.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.0 mtt -87.6 165.74 15.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.338 1.055 . . . . 0.0 113.821 -166.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -148.65 153.91 38.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.912 2.085 . . . . 0.0 111.743 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.39 22.17 0.93 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.444 1.098 . . . . 0.0 113.194 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -147.6 176.02 10.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.425 1.09 . . . . 0.0 113.306 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -129.13 160.89 31.41 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.598 2.359 . . . . 0.0 111.346 -171.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.4 t -81.46 145.85 30.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -170.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.54 -32.93 59.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.089 0.956 . . . . 0.0 112.331 168.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -67.53 -35.62 79.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.719 0.691 . . . . 0.0 112.007 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.69 -43.68 65.53 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.221 1.008 . . . . 0.0 109.982 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.18 -43.81 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.325 1.05 . . . . 0.0 110.324 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -61.46 -46.25 90.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.978 0.911 . . . . 0.0 112.254 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -33.85 76.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.97 0.908 . . . . 0.0 112.604 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.394 -0.816 . . . . 0.0 111.876 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.22 -39.74 89.82 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 170.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.7 -35.98 81.47 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.802 0.841 . . . . 0.0 112.738 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.0 t -58.87 -30.65 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.004 0.922 . . . . 0.0 112.291 171.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.87 -11.47 39.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -71.44 136.41 47.65 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.618 1.167 . . . . 0.0 110.53 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -79.13 -11.41 59.98 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -147.86 -11.83 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.92 21.32 50.7 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.867 1.222 . . . . 0.0 112.469 -168.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -14.47 60.1 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -171.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.65 8.83 56.98 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.221 1.391 . . . . 0.0 114.708 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -136.83 146.23 45.38 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.4 158.65 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.797 2.039 . . . . 0.0 109.968 174.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -74.13 144.04 45.07 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.761 -1.212 . . . . 0.0 111.987 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.48 96.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 0.0 112.705 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.29 77.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.619 -0.675 . . . . 0.0 111.678 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.27 -40.88 81.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.917 0.887 . . . . 0.0 111.618 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.51 -48.65 80.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.987 0.915 . . . . 0.0 110.923 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -53.8 -46.7 71.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.327 0.651 . . . . 0.0 111.856 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.32 -48.59 64.49 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.359 -0.838 . . . . 0.0 113.007 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -20.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.928 -1.108 . . . . 0.0 112.459 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -12.1 51.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.658 1.583 . . . . 0.0 114.89 171.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.8 p -120.31 -13.7 8.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.401 1.455 . . . . 0.0 114.616 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.35 -5.73 23.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -132.08 161.12 34.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.773 2.029 . . . . 0.0 110.934 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.26 -144.37 49.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.436 1.017 . . . . 0.0 114.623 166.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.16 112.9 24.55 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.626 1.57 . . . . 0.0 109.957 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -69.6 156.77 38.41 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -168.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.27 166.96 23.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 110.942 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -80.22 163.14 24.25 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.012 1.325 . . . . 0.0 113.602 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.97 -35.45 64.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 113.843 -1.526 . . . . 0.0 111.796 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.14 -43.33 71.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.037 0.935 . . . . 0.0 111.569 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -68.61 -36.14 78.27 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.659 1.118 . . . . 0.0 112.298 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.6 m -70.44 -32.85 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 120.899 1.682 . . . . 0.0 112.628 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.83 -39.84 91.22 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.756 1.162 . . . . 0.0 111.399 174.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -60.6 -50.33 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.9 0.88 . . . . 0.0 111.095 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttm -57.82 -53.05 62.54 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.313 1.045 . . . . 0.0 111.844 -176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.85 -37.37 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.229 0.468 . . . . 0.0 111.634 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -62.16 -42.14 98.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.486 0.584 . . . . 0.0 111.805 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -79.94 -21.96 43.24 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 113.666 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.39 -51.37 6.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.589 1.156 . . . . 0.0 113.446 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.27 -43.92 10.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.776 1.23 . . . . 0.0 111.973 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mt 72.89 -62.93 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.215 2.606 . . . . 0.0 112.306 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -165.13 33.0 0.06 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.42 2.288 . . . . 0.0 111.095 -176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.49 -171.09 45.02 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.538 1.542 . . . . 0.0 114.118 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.25 4.59 22.99 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.206 1.402 . . . . 0.0 113.691 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.11 59.86 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 126.234 1.873 . . . . 0.0 113.664 -174.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.14 128.85 47.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.445 1.122 . . . . 0.0 109.719 171.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.37 121.98 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.748 1.619 . . . . 0.0 108.589 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.22 92.31 3.27 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 161.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -70.55 -24.36 62.78 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.432 -0.792 . . . . 0.0 112.523 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.41 -41.44 97.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.023 0.929 . . . . 0.0 111.894 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.35 -43.04 64.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.722 0.809 . . . . 0.0 111.82 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -61.43 -24.48 66.57 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.95 -38.81 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 118.921 0.782 . . . . 0.0 112.007 166.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -88.74 -23.17 22.99 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.415 0.686 . . . . 0.0 112.825 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.6 86.94 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.932 -1.105 . . . . 0.0 111.561 167.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.2 ptp -85.47 -5.44 59.29 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 50.8 p -94.1 -27.78 16.07 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.79 1.177 . . . . 0.0 111.854 164.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.88 165.15 24.73 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.816 1.246 . . . . 0.0 114.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.2 2.6 . . . . 0.0 110.147 176.138 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.396 0 CA-C-O 118.533 -1.148 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.2 155.37 40.46 Favored 'Trans proline' 0 CA--C 1.534 0.523 0 C-N-CA 124.244 3.296 . . . . 0.0 113.071 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -68.54 -5.4 43.88 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.901 0.762 . . . . 0.0 114.562 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 18.5 t -60.36 -36.81 78.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.421 1.489 . . . . 0.0 110.333 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.58 -47.81 83.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 111.799 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.36 -45.59 75.88 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.254 1.022 . . . . 0.0 111.677 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.1 m -70.93 -29.48 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.483 0.583 . . . . 0.0 112.283 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -66.01 -48.73 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.304 0.956 . . . . 0.0 111.68 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.77 61.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.739 0.816 . . . . 0.0 112.333 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.02 -24.83 67.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.1 t -78.68 -33.8 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.472 1.033 . . . . 0.0 111.052 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 49.2 mt -75.02 -42.48 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.184 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -63.59 -41.28 98.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.787 0.835 . . . . 0.0 112.118 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 7.8 ptm85 -69.62 -36.51 76.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.436 1.016 . . . . 0.0 112.299 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -70.12 -37.19 75.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.768 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 46.9 t80 -72.38 -41.75 66.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.68 -0.637 . . . . 0.0 112.135 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -59.93 -43.4 94.96 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.94 0.791 . . . . 0.0 111.269 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -57.09 -48.98 77.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 111.072 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.44 -46.06 84.01 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.228 0.922 . . . . 0.0 113.14 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.46 -40.42 93.16 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.358 0.981 . . . . 0.0 112.283 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 49.0 tp -64.52 -39.4 93.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.077 0.951 . . . . 0.0 111.588 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -70.37 -37.94 74.66 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.007 0.923 . . . . 0.0 112.047 175.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -70.46 -48.83 54.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.524 1.129 . . . . 0.0 112.37 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.9 m -131.68 3.27 4.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -162.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.47 12.29 3.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.473 1.909 . . . . 0.0 113.169 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 51.3 mttm 51.85 32.71 10.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.972 1.709 . . . . 0.0 113.837 -167.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 12.7 t60 -63.57 139.9 58.82 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.541 1.136 . . . . 0.0 111.288 167.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -135.39 176.52 8.6 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.706 1.603 . . . . 0.0 111.898 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 15.2 m -61.72 -19.29 62.24 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 23.4 t80 -128.11 2.43 5.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.417 1.487 . . . . 0.0 113.063 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.846 1.658 . . . . 0.0 111.458 -173.06 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.544 0.212 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -157.74 -51.06 0.07 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.302 1.441 . . . . 0.0 111.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 76.42 173.51 0.23 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.562 2.345 . . . . 0.0 113.163 169.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.8 mt -54.46 157.7 2.75 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 167.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -88.18 158.32 18.56 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.788 1.235 . . . . 0.0 110.794 167.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.79 -31.88 72.12 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.636 -0.665 . . . . 0.0 112.325 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.54 -29.24 62.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.465 0.706 . . . . 0.0 112.817 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -73.95 -43.01 59.65 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.327 0.967 . . . . 0.0 111.012 170.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.4 mt -54.73 -39.51 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 0.0 111.135 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.04 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -79.61 -45.21 19.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.743 0.817 . . . . 0.0 111.289 175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.56 -28.41 67.77 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.528 -0.733 . . . . 0.0 112.746 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.96 -38.58 76.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.303 1.041 . . . . 0.0 112.482 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.74 -42.43 86.25 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.568 0.747 . . . . 0.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -43.62 73.24 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.405 -0.809 . . . . 0.0 112.204 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.68 -35.16 80.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.577 0.751 . . . . 0.0 112.62 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -62.73 -31.66 72.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.81 -25.53 62.91 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.856 -1.153 . . . . 0.0 112.466 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 -13.63 31.47 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.209 1.404 . . . . 0.0 113.204 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -75.61 77.43 2.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.537 1.535 . . . . 0.0 110.477 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -72.42 -17.15 61.82 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.473 1.509 . . . . 0.0 114.223 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.03 -20.87 19.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.055 1.342 . . . . 0.0 112.915 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.91 13.26 79.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.282 1.42 . . . . 0.0 114.536 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -98.18 -2.96 38.62 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.376 1.47 . . . . 0.0 113.809 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.04 19.15 52.06 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.527 1.061 . . . . 0.0 114.279 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.2 p -124.19 162.11 24.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.003 1.721 . . . . 0.0 111.766 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 pt -125.71 161.34 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.824 1.249 . . . . 0.0 110.848 164.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -69.21 147.78 50.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 p -57.86 -36.56 72.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.122 0.969 . . . . 0.0 112.757 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.7 -23.77 65.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.505 1.122 . . . . 0.0 113.437 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.78 -9.47 59.33 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.606 1.562 . . . . 0.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.79 -45.38 92.49 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 120.931 -1.105 . . . . 0.0 112.039 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.22 66.11 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.358 0.504 . . . . 0.0 112.398 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -75.04 -42.6 56.82 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.584 1.153 . . . . 0.0 111.489 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.62 -29.61 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.99 1.268 . . . . 0.0 111.916 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -57.56 -53.49 57.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.749 0.82 . . . . 0.0 110.838 166.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -60.1 -40.99 91.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.803 1.241 . . . . 0.0 112.323 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -62.97 -36.23 82.79 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.613 0.765 . . . . 0.0 113.031 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.46 -4.01 56.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.296 1.438 . . . . 0.0 113.726 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.69 14.21 80.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.602 1.096 . . . . 0.0 114.379 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.39 147.32 32.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.735 1.214 . . . . 0.0 110.37 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.96 64.29 14.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.073 0.949 . . . . 0.0 112.747 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.86 157.44 55.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.538 2.825 . . . . 0.0 110.792 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -68.48 149.19 49.57 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 0.0 109.606 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.31 -42.87 92.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.941 0.896 . . . . 0.0 112.602 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.09 73.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -71.72 -42.25 67.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.615 0.766 . . . . 0.0 110.88 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.22 -40.51 90.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.447 1.099 . . . . 0.0 111.439 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -62.68 -38.29 89.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.531 0.733 . . . . 0.0 111.466 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.02 -29.82 69.75 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.6 mtt -67.81 -41.39 83.16 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.183 0.901 . . . . 0.0 110.514 172.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.4 -48.18 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.773 0.829 . . . . 0.0 110.084 173.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -60.03 -34.4 73.33 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -67.32 -44.39 79.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.832 0.853 . . . . 0.0 111.607 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.86 -31.06 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -103.31 31.16 4.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.766 1.626 . . . . 0.0 112.512 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.02 -26.23 64.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.381 1.073 . . . . 0.0 113.821 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.55 -8.22 58.99 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.284 1.434 . . . . 0.0 113.52 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.54 54.64 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.697 1.141 . . . . 0.0 115.704 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.24 -26.07 63.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.638 1.219 . . . . 0.0 113.727 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 13.23 76.81 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.154 1.359 . . . . 0.0 113.359 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -138.41 155.84 48.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.576 1.551 . . . . 0.0 111.877 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.2 mt -120.16 128.14 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.02 1.728 . . . . 0.0 108.679 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -89.66 151.0 22.1 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.856 1.262 . . . . 0.0 111.138 173.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.76 -44.24 99.14 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.1 -35.63 97.69 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.792 2.328 . . . . 0.0 113.791 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.53 -37.06 65.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.252 1.021 . . . . 0.0 112.316 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -62.6 -40.45 96.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.904 0.881 . . . . 0.0 111.914 172.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.44 -29.79 71.02 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.4 m -65.44 -31.86 73.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 0.0 112.437 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.6 mtt -64.98 -35.07 80.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.46 0.573 . . . . 0.0 112.004 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.5 mmm -81.52 -37.68 27.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 112.149 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.58 49.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.964 1.706 . . . . 0.0 114.294 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -60.25 -18.44 48.92 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.072 1.749 . . . . 0.0 114.389 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -85.0 -23.97 28.45 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.645 1.178 . . . . 0.0 114.148 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 mmt -87.02 -12.06 48.54 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -150.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 158.33 34.37 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.262 1.392 . . . . 0.0 112.943 174.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.17 -33.51 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -89.13 166.62 13.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.311 1.044 . . . . 0.0 113.767 -164.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -79.04 161.66 26.43 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.221 1.808 . . . . 0.0 112.238 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.2 p -81.32 142.29 33.23 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.091 -1.005 . . . . 0.0 113.71 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.35 -37.72 88.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.083 0.953 . . . . 0.0 111.398 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.92 -35.79 75.64 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.385 1.074 . . . . 0.0 112.584 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -62.69 -34.83 77.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.412 0.685 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 mt -81.27 -39.32 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.2 -43.29 98.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.822 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.35 -35.63 81.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.084 0.856 . . . . 0.0 111.85 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.32 90.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 0.0 111.556 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.99 -37.33 67.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.799 -0.563 . . . . 0.0 112.38 170.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -63.86 -38.36 90.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.582 -0.723 . . . . 0.0 112.346 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.49 -20.42 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 119.795 1.179 . . . . 0.0 113.706 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -86.87 -8.79 56.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -86.19 108.14 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -82.03 -8.11 59.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 113.73 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.39 -26.95 6.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.909 1.284 . . . . 0.0 114.161 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.3 48.18 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.35 1.452 . . . . 0.0 113.326 -173.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.22 -18.17 60.18 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.25 1.42 . . . . 0.0 114.405 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.58 12.17 65.04 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.974 1.273 . . . . 0.0 113.439 -172.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.89 152.43 46.42 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.842 1.657 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.1 pt -131.11 153.96 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.055 1.742 . . . . 0.0 108.911 170.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.3 p -77.77 150.93 34.27 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.456 -1.403 . . . . 0.0 112.053 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.96 -32.51 72.96 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.143 -0.973 . . . . 0.0 111.964 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.29 82.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.306 1.043 . . . . 0.0 111.773 172.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.86 -49.17 77.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.699 0.8 . . . . 0.0 110.845 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -46.52 87.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.881 0.764 . . . . 0.0 112.222 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -60.28 -42.97 96.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.539 0.735 . . . . 0.0 111.021 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.6 -51.65 26.84 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.35 -31.51 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.488 1.04 . . . . 0.0 111.655 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.4 mmt -81.54 -18.41 45.08 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.1 p -95.57 -24.11 16.76 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.759 1.163 . . . . 0.0 112.264 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -85.49 -33.22 21.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.451 1.101 . . . . 0.0 113.522 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.36 162.57 21.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.614 1.566 . . . . 0.0 113.127 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.11 -134.06 13.81 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.357 1.456 . . . . 0.0 112.308 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.31 1.2 57.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.705 1.202 . . . . 0.0 113.246 174.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.6 mttt 59.05 58.45 3.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.283 1.433 . . . . 0.0 112.952 161.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.24 164.84 4.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.501 1.521 . . . . 0.0 114.475 -175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 m -62.84 153.95 31.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.189 1.796 . . . . 0.0 112.71 -168.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.93 -32.51 70.85 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.351 1.06 . . . . 0.0 112.516 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.9 -32.75 69.79 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.359 1.063 . . . . 0.0 112.694 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.59 -48.99 28.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.128 0.971 . . . . 0.0 110.205 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.52 -31.06 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.478 1.035 . . . . 0.0 112.909 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.49 -42.74 99.7 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 120.472 1.487 . . . . 0.0 111.295 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -65.3 -39.04 91.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.72 0.808 . . . . 0.0 112.016 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.9 ttm -60.66 -37.41 81.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.82 0.848 . . . . 0.0 112.046 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -75.03 -42.83 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.778 -0.576 . . . . 0.0 111.787 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -56.33 -40.39 74.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.54 1.136 . . . . 0.0 113.36 -171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.82 -14.98 61.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.21 -43.98 5.82 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.801 1.241 . . . . 0.0 112.884 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.81 -28.52 68.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.492 1.517 . . . . 0.0 113.821 -172.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.6 pt -65.42 -15.07 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.189 1.395 . . . . 0.0 114.221 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -121.79 -36.6 3.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.184 1.794 . . . . 0.0 112.901 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -15.37 56.47 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.337 1.446 . . . . 0.0 115.745 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 t70 57.81 33.4 23.18 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.517 1.527 . . . . 0.0 113.69 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.71 -11.67 49.92 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.593 1.568 . . . . 0.0 114.505 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -107.93 118.14 35.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.193 1.497 . . . . 0.0 109.015 169.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.69 114.61 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.498 1.119 . . . . 0.0 109.377 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.16 75.45 1.27 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.945 1.698 . . . . 0.0 109.859 165.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -58.71 -31.42 68.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -170.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.4 -42.62 99.02 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.355 0.662 . . . . 0.0 111.213 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.79 -32.88 60.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 111.808 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -61.37 -39.11 89.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.62 0.768 . . . . 0.0 112.289 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.54 -38.47 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 118.381 -0.818 . . . . 0.0 111.33 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -67.72 -29.35 68.58 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.251 0.932 . . . . 0.0 112.525 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.6 mtm -81.0 -34.17 33.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.311 1.044 . . . . 0.0 111.748 174.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.5 ttp -71.44 -44.19 65.29 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.542 1.137 . . . . 0.0 112.674 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.0 p -78.73 -33.76 46.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.749 0.82 . . . . 0.0 111.619 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 76.82 158.54 0.2 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.156 2.982 . . . . 0.0 113.534 174.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.815 1.646 . . . . 0.0 111.321 -174.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 CA-C-O 119.324 -0.709 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -56.27 150.34 50.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 124.82 3.68 . . . . 0.0 113.271 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -84.57 148.99 24.21 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.122 0.868 . . . . 0.0 113.198 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -66.24 -42.07 89.12 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.748 -0.854 . . . . 0.0 110.577 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.43 -38.32 86.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.679 1.592 . . . . 0.0 112.066 170.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.86 -46.89 67.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.941 0.896 . . . . 0.0 111.632 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -69.51 -32.45 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.0 0.818 . . . . 0.0 111.962 175.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.9 m -62.4 -45.99 90.61 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.637 -0.665 . . . . 0.0 111.58 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.71 78.05 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.986 0.514 . . . . 0.0 111.317 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.17 -37.15 84.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 49.4 t -65.27 -42.19 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 119.358 0.981 . . . . 0.0 110.987 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 58.8 mt -70.77 -40.89 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.549 0.613 . . . . 0.0 111.319 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.61 -39.03 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.9 0.88 . . . . 0.0 111.637 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -60.11 -49.72 76.53 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.956 0.902 . . . . 0.0 111.433 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.41 99.12 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.671 0.789 . . . . 0.0 111.988 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.55 -42.94 73.93 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.46 0.704 . . . . 0.0 112.668 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.76 -39.71 94.99 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.285 -0.885 . . . . 0.0 112.163 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.31 -41.82 93.65 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.448 0.699 . . . . 0.0 112.17 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -56.88 -45.04 82.79 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.781 0.833 . . . . 0.0 112.26 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.3 -41.5 89.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.082 0.855 . . . . 0.0 112.901 174.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.55 -40.25 96.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.376 -0.827 . . . . 0.0 112.085 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -76.04 -11.11 59.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.885 1.274 . . . . 0.0 113.19 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -84.29 -43.43 14.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.177 0.991 . . . . 0.0 111.705 166.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 62.3 m -84.42 -46.41 11.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.1 mm? 60.45 -73.57 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.48 2.712 . . . . 0.0 112.324 -172.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 61.4 mttp -75.85 38.91 0.17 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.471 2.308 . . . . 0.0 112.653 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -57.72 -29.1 64.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.694 1.598 . . . . 0.0 114.979 -156.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -70.17 -18.67 63.21 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 40.5 m -131.97 10.42 4.61 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.77 1.628 . . . . 0.0 113.007 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 58.2 t80 -71.9 -23.79 61.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.021 1.328 . . . . 0.0 113.724 -172.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.838 2.055 . . . . 0.0 111.3 178.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.38 11.15 35.83 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.172 1.789 . . . . 0.0 113.341 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -153.62 156.01 37.14 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.769 2.028 . . . . 0.0 109.234 -170.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.4 mt -65.17 153.67 40.24 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.723 -0.61 . . . . 0.0 112.412 167.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.17 165.94 20.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.344 2.258 . . . . 0.0 110.474 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.6 -37.94 59.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.853 1.261 . . . . 0.0 113.373 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -21.38 61.93 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -86.37 -43.52 12.79 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.406 -0.809 . . . . 0.0 110.425 169.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.2 mt -56.24 -36.46 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.427 1.491 . . . . 0.0 111.706 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.32 67.3 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.87 -43.04 15.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.816 1.246 . . . . 0.0 111.38 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.0 -30.18 70.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.798 0.839 . . . . 0.0 112.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.3 tppt? -54.72 -42.63 71.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.338 1.055 . . . . 0.0 112.635 169.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.69 -39.66 94.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.762 0.825 . . . . 0.0 112.06 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -44.49 55.7 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.838 -0.539 . . . . 0.0 111.978 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -40.5 93.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.62 0.768 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -64.57 -22.29 66.93 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -20.3 45.22 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 112.913 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.12 -13.03 23.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.535 1.534 . . . . 0.0 112.83 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.65 60.98 0.94 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.759 1.624 . . . . 0.0 110.704 164.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -71.08 -21.13 62.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.28 1.432 . . . . 0.0 113.519 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -82.16 -19.45 39.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.889 1.276 . . . . 0.0 112.978 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.39 7.73 87.21 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.395 1.474 . . . . 0.0 115.039 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -91.95 -12.85 32.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.226 1.41 . . . . 0.0 113.954 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.62 9.09 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.324 1.44 . . . . 0.0 114.522 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.24 148.51 52.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.283 1.433 . . . . 0.0 112.119 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 pt -110.12 165.21 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.991 1.317 . . . . 0.0 110.235 166.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -78.54 161.8 26.77 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.496 -0.753 . . . . 0.0 111.61 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -63.59 -27.36 69.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.2 166.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.15 -43.24 71.28 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.987 1.315 . . . . 0.0 112.193 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.62 -5.66 59.25 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 tp -50.22 -54.19 22.82 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.105 -0.997 . . . . 0.0 112.393 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.75 -27.24 68.03 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.973 -0.348 . . . . 0.0 112.336 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -71.34 -38.46 71.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.086 1.355 . . . . 0.0 111.289 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.39 -45.14 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.147 1.34 . . . . 0.0 110.395 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mtp -67.89 -38.0 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.433 0.693 . . . . 0.0 111.813 -176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -69.67 -34.01 73.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.015 0.926 . . . . 0.0 112.516 172.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.4 m -68.98 -24.4 64.23 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.92 -2.69 44.86 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.546 1.539 . . . . 0.0 113.114 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.93 4.06 75.74 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 125.068 1.318 . . . . 0.0 115.458 171.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -98.19 169.3 9.68 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.672 1.236 . . . . 0.0 111.066 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -143.47 83.0 11.1 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.849 0.86 . . . . 0.0 111.69 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.11 155.99 68.3 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.985 2.457 . . . . 0.0 110.324 168.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -71.72 164.96 24.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.369 0.668 . . . . 0.0 111.731 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.27 -36.51 71.1 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.758 0.823 . . . . 0.0 111.418 169.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.99 79.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.306 1.042 . . . . 0.0 112.176 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.77 -45.38 90.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.62 0.645 . . . . 0.0 111.12 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 mt -59.92 -49.24 78.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.049 0.54 . . . . 0.0 111.271 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.37 -42.43 95.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.009 0.523 . . . . 0.0 111.919 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.72 -36.17 80.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.42 -33.7 69.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.172 0.896 . . . . 0.0 111.103 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.21 -54.83 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 108.88 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.8 -27.28 50.32 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.19 -28.79 64.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.346 1.059 . . . . 0.0 113.069 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.37 -27.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -96.41 20.13 11.02 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.716 1.606 . . . . 0.0 112.864 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -24.59 66.36 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.13 0.972 . . . . 0.0 113.447 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -84.52 -7.82 59.14 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.991 1.317 . . . . 0.0 113.503 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 26.92 46.28 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.012 1.291 . . . . 0.0 114.928 171.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -73.15 -31.57 64.34 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.6 -0.23 86.04 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.705 1.621 . . . . 0.0 114.185 -173.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -135.2 158.94 43.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.739 2.016 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.12 128.32 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.476 1.911 . . . . 0.0 108.218 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.96 158.62 17.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.768 1.227 . . . . 0.0 111.005 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.493 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 29.4 t80 -53.84 -43.17 95.97 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -173.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.86 -34.34 82.35 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.962 2.441 . . . . 0.0 113.613 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.97 -42.28 69.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.272 1.029 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.95 -41.03 97.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.284 1.434 . . . . 0.0 111.647 172.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.08 -32.03 72.06 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.374 -0.829 . . . . 0.0 112.563 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -64.78 -47.73 77.08 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.67 1.123 . . . . 0.0 111.006 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.5 ptp -65.57 -26.16 67.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.3 mmm -76.13 -45.7 32.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.39 1.076 . . . . 0.0 111.966 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.48 96.9 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.99 1.316 . . . . 0.0 112.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.78 -23.08 65.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.369 1.068 . . . . 0.0 113.398 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.26 -16.71 42.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.493 1.117 . . . . 0.0 113.596 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 mmt -76.98 158.03 30.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.783 1.233 . . . . 0.0 112.553 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -130.62 144.82 51.68 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.094 1.757 . . . . 0.0 111.805 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -85.24 -17.99 35.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.638 1.175 . . . . 0.0 113.355 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -172.05 172.14 4.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 111.535 -158.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -76.1 156.42 33.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.617 1.567 . . . . 0.0 112.567 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 m -75.59 143.63 42.24 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.107 -0.996 . . . . 0.0 113.575 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -58.19 -28.64 64.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.058 -1.026 . . . . 0.0 111.749 175.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -33.63 76.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.916 1.286 . . . . 0.0 112.834 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.73 -42.02 74.53 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.192 -0.942 . . . . 0.0 110.26 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.76 -37.84 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.749 1.22 . . . . 0.0 110.429 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.61 -50.3 45.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.462 1.105 . . . . 0.0 112.971 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.3 -30.56 70.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.387 1.075 . . . . 0.0 112.284 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.91 67.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.0 -29.0 55.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.847 -1.158 . . . . 0.0 113.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.14 -24.9 67.86 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 m -78.91 -31.78 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.268 0.94 . . . . 0.0 113.359 173.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -81.24 -21.79 39.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.994 0.815 . . . . 0.0 112.597 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -84.55 95.73 8.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.818 1.247 . . . . 0.0 110.147 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.74 -12.11 60.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -100.81 -24.67 14.33 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.118 1.367 . . . . 0.0 113.133 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.64 84.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.939 1.256 . . . . 0.0 113.41 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -72.29 -18.5 61.79 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.872 1.669 . . . . 0.0 115.171 -169.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.49 9.83 49.28 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.53 1.062 . . . . 0.0 113.955 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -137.61 150.49 47.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.576 1.55 . . . . 0.0 113.397 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.7 161.24 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.362 1.465 . . . . 0.0 110.024 171.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.9 t -73.97 144.37 45.25 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.487 -1.383 . . . . 0.0 111.215 168.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.57 63.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.311 -0.868 . . . . 0.0 112.533 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.77 65.46 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.081 -1.012 . . . . 0.0 113.189 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.79 -35.08 74.57 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.585 -0.697 . . . . 0.0 111.178 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.76 -44.21 97.02 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.893 0.77 . . . . 0.0 111.088 170.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -65.41 -29.53 70.23 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -76.11 -47.85 22.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.101 -1.0 . . . . 0.0 112.28 173.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.59 -52.67 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.81 1.244 . . . . 0.0 111.92 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -74.27 -14.42 60.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -162.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -119.7 31.73 6.41 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.171 1.788 . . . . 0.0 111.931 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -151.72 -45.06 0.11 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.196 0.999 . . . . 0.0 113.227 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.9 mt -89.97 144.5 25.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.893 1.277 . . . . 0.0 111.058 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.35 -154.18 48.07 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.334 0.968 . . . . 0.0 113.513 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' B' 1906 ' ' MET . 6.3 pt-20 -76.86 134.94 38.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.306 0.642 . . . . 0.0 109.755 162.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -93.57 158.19 15.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.546 1.139 . . . . 0.0 112.41 -172.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -107.12 179.12 4.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.761 1.224 . . . . 0.0 111.827 163.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.0 p -78.28 163.96 25.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.69 -29.79 68.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.254 1.422 . . . . 0.0 112.542 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.91 -47.45 37.74 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.363 1.065 . . . . 0.0 111.19 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -74.82 -34.46 62.37 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.663 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.28 -32.62 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 120.6 1.546 . . . . 0.0 111.535 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.42 -41.73 55.26 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.519 -0.738 . . . . 0.0 111.61 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.85 -39.51 81.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 111.423 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.72 -41.13 76.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.03 0.932 . . . . 0.0 111.452 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.3 mt -79.24 -34.09 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.056 0.942 . . . . 0.0 111.636 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.261 1.025 . . . . 0.0 110.994 173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.84 -29.34 40.11 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.436 1.094 . . . . 0.0 113.065 171.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.23 -40.76 23.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.577 1.535 . . . . 0.0 113.357 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.08 -23.05 63.97 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.757 -170.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.03 -7.17 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.45 1.1 . . . . 0.0 113.679 174.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -113.09 -44.65 3.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.65 1.58 . . . . 0.0 112.155 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -119.82 103.08 0.93 Allowed Glycine 0 C--N 1.343 0.949 0 C-N-CA 125.235 1.398 . . . . 0.0 111.852 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.22 111.15 4.96 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.887 1.275 . . . . 0.0 111.774 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.93 -56.99 2.68 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.81 1.671 . . . . 0.0 113.019 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -91.92 120.78 32.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.039 1.335 . . . . 0.0 108.607 170.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.6 t -79.85 122.16 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.756 1.622 . . . . 0.0 109.967 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -79.0 84.35 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.083 0.953 . . . . 0.0 109.17 168.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -66.78 -21.4 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -57.86 -40.59 80.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.213 1.005 . . . . 0.0 111.226 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.58 -36.67 51.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.318 1.047 . . . . 0.0 111.85 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -66.02 -32.3 73.69 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.96 -50.95 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.515 1.126 . . . . 0.0 110.265 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -70.07 -41.71 73.76 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.343 0.657 . . . . 0.0 111.063 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttm -52.16 -43.02 63.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.87 1.268 . . . . 0.0 112.197 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.6 mtm -73.37 -45.43 55.01 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.5 t -94.94 -24.4 16.98 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -163.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.77 144.48 55.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -173.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt . . . . . 0 C--O 1.257 1.47 0 C-N-CA 125.48 1.512 . . . . 0.0 112.713 177.89 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 CA-C-O 119.273 -0.737 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.7 -24.84 9.87 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.908 3.072 . . . . 0.0 113.682 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 80.16 -8.4 52.17 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.937 1.256 . . . . 0.0 114.715 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 6.1 p -62.35 -57.12 12.49 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.964 1.705 . . . . 0.0 110.942 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -58.97 -31.62 68.91 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.338 1.855 . . . . 0.0 112.61 174.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.4 -49.58 53.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.868 0.758 . . . . 0.0 111.728 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.2 m -72.96 -28.31 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.117 0.871 . . . . 0.0 112.613 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 62.9 m -63.82 -43.53 95.97 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.885 0.874 . . . . 0.0 111.935 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.24 75.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.02 0.528 . . . . 0.0 111.885 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1906 ' ' MET . . . . . 0.411 ' HG2' ' H ' ' A' ' 114' ' ' GLU . 44.6 mtt -57.98 -48.87 78.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.993 0.917 . . . . 0.0 112.25 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.7 t -66.34 -37.15 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.834 0.854 . . . . 0.0 110.968 -172.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 77.1 mt -69.28 -50.7 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.279 0.49 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -69.5 -24.07 63.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.01 0.823 . . . . 0.0 112.728 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -75.9 -31.39 59.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.629 1.104 . . . . 0.0 112.172 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -67.97 -43.84 78.08 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.025 -1.047 . . . . 0.0 110.764 167.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 45.3 t80 -63.64 -42.31 98.15 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -55.96 -45.96 78.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.397 1.079 . . . . 0.0 112.339 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -70.54 -36.07 73.49 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.734 0.814 . . . . 0.0 112.521 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.62 -42.62 97.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.542 -0.724 . . . . 0.0 111.998 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -58.72 -36.08 73.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 3.5 tm? -60.72 -49.08 78.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.54 0.609 . . . . 0.0 110.86 174.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -72.69 -22.95 60.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.851 0.861 . . . . 0.0 113.12 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 75.8 ttt-85 -79.54 -48.05 14.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 112.31 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 59.1 m -106.44 -26.81 11.28 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -168.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? 65.97 -60.54 0.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 129.518 3.127 . . . . 0.0 113.837 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 94.2 mttt 67.6 16.31 9.86 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.259 2.224 . . . . 0.0 113.853 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -76.7 166.71 23.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.293 1.437 . . . . 0.0 112.501 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -76.54 143.38 40.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.301 -0.874 . . . . 0.0 112.005 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 48.9 m -137.13 14.87 3.04 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.454 1.102 . . . . 0.0 113.493 -175.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.16 -39.21 92.64 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.86 -1.15 . . . . 0.0 113.441 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.707 1.603 . . . . 0.0 112.144 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.694 0.283 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -94.1 -3.89 50.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.662 1.585 . . . . 0.0 112.914 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -161.39 155.36 22.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 110.149 -162.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.07 145.77 52.27 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.816 1.246 . . . . 0.0 113.683 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -110.57 162.85 14.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.03 1.332 . . . . 0.0 111.982 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.47 -34.07 74.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.234 1.013 . . . . 0.0 112.894 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.52 -25.45 50.27 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.9 -42.35 66.84 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.947 0.794 . . . . 0.0 110.93 171.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.78 -36.04 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.171 0.989 . . . . 0.0 111.811 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.44 75.64 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.82 0.848 . . . . 0.0 113.07 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.87 -38.26 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.279 1.032 . . . . 0.0 112.04 175.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.87 -27.8 69.11 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.605 -0.684 . . . . 0.0 112.014 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -64.67 -39.63 94.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.928 0.891 . . . . 0.0 112.692 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.01 -42.38 80.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.439 0.696 . . . . 0.0 111.423 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.58 96.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.58 -38.88 91.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.389 1.075 . . . . 0.0 111.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -62.52 -34.97 77.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.223 1.009 . . . . 0.0 113.43 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.97 -18.54 60.86 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.924 -1.11 . . . . 0.0 113.623 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -98.3 -10.77 23.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.216 1.406 . . . . 0.0 113.469 172.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.04 64.92 5.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.747 1.619 . . . . 0.0 109.946 161.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.97 -17.37 62.66 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -87.13 -18.59 30.1 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.143 1.377 . . . . 0.0 113.083 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 17.85 71.41 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.01 1.29 . . . . 0.0 114.461 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.39 -8.59 50.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.076 1.35 . . . . 0.0 114.061 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 17.11 35.1 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.588 1.566 . . . . 0.0 114.83 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.8 p -136.56 149.62 48.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.775 1.63 . . . . 0.0 110.719 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -99.66 159.06 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.372 0.669 . . . . 0.0 110.252 167.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.16 148.48 37.75 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 p -57.61 -33.75 68.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.15 0.98 . . . . 0.0 111.62 170.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -63.46 -28.94 70.31 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.087 1.355 . . . . 0.0 113.448 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -89.93 -17.1 28.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.052 0.941 . . . . 0.0 112.993 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -52.4 -46.48 66.29 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.083 1.311 . . . . 0.0 111.777 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.92 -8.43 34.79 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.328 -1.262 . . . . 0.0 113.967 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -99.61 -42.13 7.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.202 2.201 . . . . 0.0 111.869 168.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.07 -40.48 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 119.828 1.195 . . . . 0.0 110.826 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.9 mmm -60.41 -38.98 85.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.98 0.512 . . . . 0.0 111.648 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.73 -37.07 73.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.517 1.127 . . . . 0.0 112.368 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -24.96 67.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.782 0.833 . . . . 0.0 112.401 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.2 mt -98.06 9.4 42.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.384 1.874 . . . . 0.0 113.616 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.24 12.36 76.2 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.485 1.041 . . . . 0.0 114.513 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -82.04 146.8 29.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.424 1.112 . . . . 0.0 110.316 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -122.58 44.7 0.91 Allowed Pre-proline 0 CA--C 1.557 1.243 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -67.09 147.7 79.99 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.051 1.834 . . . . 0.0 111.185 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 m -74.23 158.57 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.935 0.894 . . . . 0.0 109.845 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.03 -33.57 67.33 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.333 1.053 . . . . 0.0 112.929 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.43 79.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.773 0.829 . . . . 0.0 112.958 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.97 -43.47 68.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.386 0.674 . . . . 0.0 110.635 173.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.22 -47.71 82.64 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.204 0.602 . . . . 0.0 110.865 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.95 -42.3 98.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.591 0.632 . . . . 0.0 111.91 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.75 -31.67 72.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.662 0.664 . . . . 0.0 112.625 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -78.36 -24.28 46.52 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 111.62 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.06 -49.85 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.62 -24.33 55.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.15 0.98 . . . . 0.0 113.175 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.54 -27.15 64.91 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.968 1.307 . . . . 0.0 112.847 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.64 -30.08 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -169.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.55 41.04 0.99 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 112.529 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.23 67.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.952 1.301 . . . . 0.0 113.917 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.28 -16.33 56.58 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.428 . . . . 0.0 112.871 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.61 17.33 80.17 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.696 1.141 . . . . 0.0 113.282 -175.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.91 -26.87 63.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 113.55 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.82 13.5 64.62 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.459 1.504 . . . . 0.0 114.179 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.8 p -135.35 157.68 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.118 1.367 . . . . 0.0 112.835 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.76 129.71 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.541 1.937 . . . . 0.0 109.108 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.79 155.88 18.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.144 1.378 . . . . 0.0 111.491 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.48 -50.34 80.66 Favored Pre-proline 0 CA--C 1.549 0.926 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.57 -24.65 41.7 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.277 1.985 . . . . 0.0 113.474 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -69.61 -42.38 74.45 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.198 0.908 . . . . 0.0 110.458 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.24 -40.57 96.3 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.053 1.341 . . . . 0.0 112.598 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.24 -29.01 69.17 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.927 -1.108 . . . . 0.0 112.845 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.0 m -62.34 -38.66 90.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.959 0.904 . . . . 0.0 110.981 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.1 mtt -62.18 -50.55 71.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.446 0.699 . . . . 0.0 111.056 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.4 mmm -58.86 -48.05 82.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.524 1.129 . . . . 0.0 111.94 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.76 79.87 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.483 1.113 . . . . 0.0 113.1 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -79.79 -35.08 39.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.077 1.351 . . . . 0.0 112.99 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -79.17 -19.5 50.77 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -176.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.5 mmt -53.77 127.63 26.56 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.257 1.023 . . . . 0.0 112.001 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.63 142.75 46.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.068 1.347 . . . . 0.0 113.347 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -103.45 -10.34 18.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.401 1.48 . . . . 0.0 113.759 174.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -158.8 172.53 18.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.187 1.795 . . . . 0.0 111.335 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.57 151.65 21.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.024 1.73 . . . . 0.0 113.283 -172.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.4 t -75.78 161.57 28.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.513 1.125 . . . . 0.0 112.991 175.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.12 -43.9 91.96 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 112.749 -175.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 -26.44 57.31 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -72.62 -37.8 67.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.377 1.471 . . . . 0.0 110.945 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.13 -41.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.828 1.251 . . . . 0.0 110.95 166.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -62.49 -37.67 86.9 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.02 -38.37 76.08 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.97 0.805 . . . . 0.0 112.306 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.23 91.31 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.262 -0.899 . . . . 0.0 112.707 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -68.71 -37.54 79.57 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.692 -0.63 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -66.78 -33.95 76.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.858 0.754 . . . . 0.0 112.554 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.11 -34.8 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.052 0.941 . . . . 0.0 111.911 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -89.66 -6.62 55.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -68.16 131.14 44.87 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.636 173.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.26 -13.14 60.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -148.6 -17.05 0.32 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.94 45.47 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.964 1.269 . . . . 0.0 112.411 -167.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.53 -17.89 53.06 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.26 1.424 . . . . 0.0 114.259 -172.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.95 11.67 56.26 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.474 1.512 . . . . 0.0 113.863 -174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -138.07 151.21 47.61 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.149 1.379 . . . . 0.0 113.682 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.0 pt -132.16 169.25 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 109.158 167.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -89.44 152.23 21.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.185 1.357 . . . . 0.0 112.256 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.47 71.61 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.358 -0.839 . . . . 0.0 112.018 173.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.3 81.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.916 0.886 . . . . 0.0 111.731 171.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.44 -45.32 91.45 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.138 0.575 . . . . 0.0 111.045 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.2 -39.86 88.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.319 0.648 . . . . 0.0 112.284 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -68.97 -40.81 78.64 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.833 -0.542 . . . . 0.0 111.326 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -72.55 -44.62 61.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.783 0.833 . . . . 0.0 113.241 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.46 -32.57 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.9 -1.125 . . . . 0.0 111.928 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.93 -21.31 63.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 113.937 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.5 p -111.58 12.01 21.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.244 1.418 . . . . 0.0 112.954 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -132.99 -45.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.9 137.92 31.97 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.659 1.184 . . . . 0.0 111.094 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.09 -144.95 49.89 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.692 1.139 . . . . 0.0 113.198 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -59.26 139.51 56.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.554 0.742 . . . . 0.0 110.93 165.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -88.64 123.29 32.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.24 0.616 . . . . 0.0 110.969 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.9 142.99 41.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.196 0.999 . . . . 0.0 110.827 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.94 150.97 47.85 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.915 1.286 . . . . 0.0 111.205 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -56.81 -43.84 81.39 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.958 1.303 . . . . 0.0 112.912 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.29 -33.25 69.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.342 0.519 . . . . 0.0 112.152 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -72.3 -47.86 46.67 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.877 0.871 . . . . 0.0 110.522 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.0 -33.37 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.964 0.802 . . . . 0.0 112.042 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.37 -38.76 88.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.049 -1.032 . . . . 0.0 111.938 173.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -68.47 -38.1 80.75 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.953 0.901 . . . . 0.0 111.96 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttm -58.35 -44.48 88.79 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.886 0.875 . . . . 0.0 111.079 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.64 -39.68 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.057 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -58.33 -42.08 86.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.421 1.009 . . . . 0.0 112.002 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.95 -27.49 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.287 1.435 . . . . 0.0 112.71 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 -44.6 11.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.323 1.049 . . . . 0.0 113.232 177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.16 -18.92 63.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.237 1.415 . . . . 0.0 113.958 -170.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.95 -11.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -113.27 -37.49 4.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.58 1.552 . . . . 0.0 112.409 172.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -76.73 175.54 53.4 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.951 1.263 . . . . 0.0 114.067 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.5 -0.25 18.92 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.542 1.537 . . . . 0.0 113.665 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 121.16 -36.25 3.37 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 126.132 1.825 . . . . 0.0 110.603 -162.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.87 145.42 34.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.155 -0.615 . . . . 0.0 109.781 151.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.7 121.87 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.957 2.103 . . . . 0.0 108.534 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -76.75 96.6 4.27 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 163.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -71.07 -24.07 62.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.81 -45.17 93.85 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 110.472 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.25 -30.12 64.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.659 0.784 . . . . 0.0 112.532 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.35 -42.7 98.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.113 -0.992 . . . . 0.0 112.345 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.28 -44.26 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.729 0.695 . . . . 0.0 111.803 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.36 -22.91 61.84 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.188 0.904 . . . . 0.0 113.384 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.1 mtm -79.9 -16.0 56.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.387 0.994 . . . . 0.0 112.969 170.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.3 -46.5 8.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.079 1.352 . . . . 0.0 112.047 176.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p -76.28 -19.88 57.87 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.79 1.236 . . . . 0.0 113.604 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.36 164.76 32.27 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.816 1.647 . . . . 0.0 111.653 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.252 1.19 0 C-N-CA 125.598 1.559 . . . . 0.0 111.513 -177.616 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.4 -25.62 8.11 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.743 2.962 . . . . 0.0 113.61 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 79.33 -10.01 38.08 Favored Glycine 0 N--CA 1.475 1.285 0 C-N-CA 124.605 1.097 . . . . 0.0 115.03 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.9 p -57.41 -53.56 56.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.276 1.83 . . . . 0.0 111.222 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.41 -35.76 74.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 112.254 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.39 -46.13 64.62 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.235 -0.916 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.0 m -72.42 -27.82 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.447 0.567 . . . . 0.0 112.359 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -61.2 -41.89 97.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.379 0.991 . . . . 0.0 111.74 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.82 76.93 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.191 -0.943 . . . . 0.0 112.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.3 mtm -73.35 -37.56 66.05 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.371 0.668 . . . . 0.0 112.526 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.89 -46.38 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.716 1.206 . . . . 0.0 111.018 173.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.53 -49.73 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.969 -0.457 . . . . 0.0 111.197 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.72 -25.3 62.88 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.268 0.94 . . . . 0.0 112.958 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -63.63 -42.38 98.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.965 1.257 . . . . 0.0 111.188 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.01 88.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.562 0.745 . . . . 0.0 111.683 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 35.9 t80 -68.3 -37.67 80.87 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.747 -0.596 . . . . 0.0 112.514 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.4 -42.77 99.25 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.1 0.96 . . . . 0.0 111.461 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.0 -37.64 88.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.04 0.936 . . . . 0.0 112.038 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.91 -48.48 76.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.457 1.103 . . . . 0.0 112.57 172.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 40.4 mt -56.17 -38.99 71.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.013 1.325 . . . . 0.0 112.571 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.36 -30.14 62.28 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.038 0.935 . . . . 0.0 112.922 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -88.79 -36.57 16.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.055 0.942 . . . . 0.0 111.19 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.17 -41.26 96.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.271 1.428 . . . . 0.0 112.202 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 96.4 p -105.75 1.99 27.53 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 114.261 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 70.68 -28.58 0.18 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 130.02 3.328 . . . . 0.0 114.425 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 26.2 pttm -165.23 159.44 17.43 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.954 1.701 . . . . 0.0 112.903 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 23.8 m170 -109.77 33.54 4.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.615 1.566 . . . . 0.0 112.07 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . 60.7 -143.99 0.49 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.331 1.853 . . . . 0.0 110.664 -167.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 79.3 p -158.49 153.49 25.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.352 1.061 . . . . 0.0 112.931 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 32.7 p90 -171.19 -33.84 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.65 1.98 . . . . 0.0 112.302 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.255 1.359 0 C-N-CA 125.709 1.603 . . . . 0.0 111.83 170.619 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.74 160.33 33.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.821 1.648 . . . . 0.0 112.017 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.27 -35.95 76.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.587 0.755 . . . . 0.0 112.606 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.16 -24.97 63.25 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -80.11 -46.19 16.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.486 0.714 . . . . 0.0 109.901 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.14 -39.3 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.302 1.041 . . . . 0.0 111.658 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.137 0.975 . . . . 0.0 113.382 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -85.68 -41.61 15.01 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.892 0.877 . . . . 0.0 111.704 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.06 -28.51 68.89 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.04 -40.28 94.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.662 0.785 . . . . 0.0 111.357 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.02 57.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.136 0.574 . . . . 0.0 112.257 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.56 -38.23 86.72 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.443 0.697 . . . . 0.0 112.424 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -69.7 -14.96 63.06 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -30.7 46.34 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.367 0.985 . . . . 0.0 111.64 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -88.53 -10.07 50.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.429 1.492 . . . . 0.0 113.206 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.81 62.61 0.84 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.245 1.818 . . . . 0.0 111.028 170.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -67.37 -21.55 65.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.305 1.842 . . . . 0.0 113.963 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.62 -20.92 28.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.951 1.7 . . . . 0.0 112.738 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 7.53 86.27 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.025 1.297 . . . . 0.0 113.942 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -89.89 -9.46 48.9 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.746 1.618 . . . . 0.0 113.711 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 21.19 25.99 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.847 1.213 . . . . 0.0 113.635 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -128.56 154.84 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.852 1.661 . . . . 0.0 112.016 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.2 pt -117.45 164.58 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.801 1.241 . . . . 0.0 110.411 162.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -81.3 162.82 23.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 0.0 111.413 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.5 p -62.8 -27.71 69.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.252 1.021 . . . . 0.0 112.496 173.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -77.44 -28.52 52.52 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -19.87 56.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.79 -49.02 74.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.479 1.112 . . . . 0.0 111.55 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.45 -16.27 69.24 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.386 -0.675 . . . . 0.0 113.756 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -82.06 -55.99 4.22 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.056 0.942 . . . . 0.0 110.024 170.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.31 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mtp -66.72 -34.01 76.9 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.351 0.978 . . . . 0.0 112.762 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -81.25 -34.17 32.3 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.913 0.885 . . . . 0.0 112.466 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.3 m -66.72 -21.51 66.08 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.813 -1.179 . . . . 0.0 113.619 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 mt -77.84 1.52 20.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.022 1.329 . . . . 0.0 113.706 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.31 59.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.873 1.225 . . . . 0.0 115.267 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -86.16 173.91 9.49 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.453 1.127 . . . . 0.0 110.715 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -150.08 64.25 6.72 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.8 . . . . 0.0 112.973 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -67.33 158.39 57.22 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.32 2.68 . . . . 0.0 111.321 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -74.87 164.62 26.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.017 0.927 . . . . 0.0 111.469 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -55.77 -37.76 68.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 111.582 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.94 70.43 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.385 1.074 . . . . 0.0 112.482 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.05 -40.81 91.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.802 0.728 . . . . 0.0 111.666 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.23 -48.73 80.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.161 0.584 . . . . 0.0 111.102 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -64.23 -36.45 84.11 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.583 0.628 . . . . 0.0 112.221 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.83 -34.6 78.53 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.044 . . . . 0.0 113.23 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.9 mtm -74.06 -28.83 61.59 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.499 -0.751 . . . . 0.0 111.482 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.16 -46.49 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.867 0.758 . . . . 0.0 110.146 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -56.63 -28.58 60.83 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.464 1.029 . . . . 0.0 113.303 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.05 -13.81 60.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 114.01 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -125.82 -27.21 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -87.25 19.25 3.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.218 1.807 . . . . 0.0 112.39 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.03 64.67 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.787 1.235 . . . . 0.0 113.488 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.73 -16.83 56.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.072 1.349 . . . . 0.0 113.543 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 10.33 85.42 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.244 1.402 . . . . 0.0 115.211 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -77.02 -15.94 59.46 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.33 9.97 86.52 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.701 1.143 . . . . 0.0 114.444 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -136.41 159.23 42.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 112.284 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.54 122.07 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 126.1 1.76 . . . . 0.0 108.485 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.68 153.28 35.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.254 1.021 . . . . 0.0 111.336 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -47.4 -49.84 51.98 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 116.863 -1.541 . . . . 0.0 115.041 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.58 -26.83 69.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.597 2.198 . . . . 0.0 114.197 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -74.11 -38.87 63.71 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.008 1.276 . . . . 0.0 111.422 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.16 -40.94 99.01 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.304 1.042 . . . . 0.0 111.395 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.44 -25.3 66.67 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.218 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -60.81 -39.25 88.27 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 120.411 1.459 . . . . 0.0 111.445 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.21 -41.97 98.87 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.844 0.458 . . . . 0.0 111.156 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.42 -38.31 74.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 112.19 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 124.586 1.155 . . . . 0.0 111.988 175.163 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 -20.17 64.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.169 0.987 . . . . 0.0 112.963 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -87.71 -46.12 9.76 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.591 1.156 . . . . 0.0 110.742 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.92 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.649 0.78 . . . . 0.0 111.339 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.5 -38.23 83.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.776 0.831 . . . . 0.0 112.62 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.79 -33.86 75.64 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.471 0.708 . . . . 0.0 112.141 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.21 86.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.539 0.609 . . . . 0.0 110.764 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -64.54 -39.29 93.5 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.25 -36.31 83.24 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.584 0.629 . . . . 0.0 112.06 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.76 -37.76 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.391 1.076 . . . . 0.0 111.919 171.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -82.77 -23.12 34.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -78.49 73.21 5.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.559 1.143 . . . . 0.0 110.834 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.24 -18.68 65.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.072 1.349 . . . . 0.0 114.346 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -89.76 -20.03 24.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.901 1.28 . . . . 0.0 112.977 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.87 20.13 74.07 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.221 1.391 . . . . 0.0 114.363 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -78.01 -19.0 55.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.2 83.6 Favored Glycine 0 N--CA 1.477 1.415 0 C-N-CA 124.966 1.269 . . . . 0.0 113.971 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.93 151.53 42.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.439 1.895 . . . . 0.0 109.65 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.89 170.06 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.127 0.971 . . . . 0.0 110.253 170.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.9 p -85.08 158.21 20.49 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.9 -1.125 . . . . 0.0 112.724 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.22 74.9 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.489 -0.757 . . . . 0.0 111.66 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.92 97.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.553 0.741 . . . . 0.0 112.136 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.52 -48.2 78.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.606 0.762 . . . . 0.0 111.018 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.56 -43.47 98.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.973 0.806 . . . . 0.0 111.982 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -59.46 -47.52 85.18 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.677 0.671 . . . . 0.0 110.796 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -64.68 -49.06 72.43 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.107 0.867 . . . . 0.0 112.186 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -16.36 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.75 -35.6 12.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.075 1.35 . . . . 0.0 113.563 171.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.3 p -87.46 -25.6 23.66 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.612 1.096 . . . . 0.0 113.715 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -96.64 -52.99 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.118 0.967 . . . . 0.0 112.287 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.12 159.6 15.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.021 1.328 . . . . 0.0 112.811 -171.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.23 -145.04 35.51 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.363 0.983 . . . . 0.0 111.276 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.92 146.38 35.59 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 152.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -75.27 109.81 9.09 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.579 -1.326 . . . . 0.0 110.661 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 144.5 55.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.45 1.1 . . . . 0.0 111.113 -175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 146.63 50.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.589 1.156 . . . . 0.0 110.795 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.81 -32.61 72.92 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.8 -23.25 59.66 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.06 -45.95 14.55 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.664 1.186 . . . . 0.0 109.547 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.17 -51.5 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.434 1.094 . . . . 0.0 111.324 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.15 -26.81 68.34 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.43 0.692 . . . . 0.0 112.699 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.21 -42.18 46.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.625 0.77 . . . . 0.0 111.587 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.68 -39.43 91.4 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.621 0.769 . . . . 0.0 111.737 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.07 -56.92 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 110.001 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -49.38 -53.54 21.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.711 1.204 . . . . 0.0 113.263 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.67 -20.96 61.15 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -172.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.7 -39.8 10.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.064 0.946 . . . . 0.0 112.816 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 126.344 1.858 . . . . 0.0 112.891 -178.833 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.264 0 CA-C-O 119.866 -0.408 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.11 164.24 12.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.711 1.604 . . . . 0.0 109.982 167.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.25 111.98 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.714 1.605 . . . . 0.0 107.971 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.98 70.35 9.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.171 1.389 . . . . 0.0 110.811 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.77 -31.17 71.35 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.33 -34.84 74.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.002 1.321 . . . . 0.0 113.36 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.02 -28.66 16.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 0.0 112.091 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -33.3 72.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.59 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.04 -44.06 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.666 1.186 . . . . 0.0 111.713 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.96 -44.6 54.3 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.384 0.538 . . . . 0.0 110.583 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.88 -22.83 65.89 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -77.94 -23.26 48.62 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -168.287 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 26.4 mp0 . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.44 -44.34 71.49 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.527 -0.733 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.1 m -69.5 -33.68 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.254 0.934 . . . . 0.0 112.099 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.4 m -62.15 -44.3 96.92 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.684 0.675 . . . . 0.0 111.764 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.67 87.94 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.58 -0.7 . . . . 0.0 111.762 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.12 -31.24 72.35 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.1 t -64.18 -45.81 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.823 1.192 . . . . 0.0 111.283 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.38 -43.67 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.259 0.624 . . . . 0.0 111.124 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.053 0.941 . . . . 0.0 112.079 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -68.32 -42.76 78.91 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.443 -0.785 . . . . 0.0 111.806 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.84 98.17 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.091 0.956 . . . . 0.0 111.919 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.63 -38.67 84.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.26 -28.68 68.23 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.22 -0.925 . . . . 0.0 112.726 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -70.54 -41.84 71.97 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.396 0.998 . . . . 0.0 111.95 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 74.4 t60 -57.94 -45.64 86.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.964 0.906 . . . . 0.0 112.103 171.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 125.912 1.685 . . . . 0.0 112.441 172.595 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 p -103.83 161.79 13.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 110.806 165.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.15 -31.84 70.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.709 0.804 . . . . 0.0 113.096 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.5 -21.47 60.4 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -80.44 -43.75 20.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.336 0.971 . . . . 0.0 110.662 168.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -56.2 -37.7 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.211 1.004 . . . . 0.0 111.879 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -25.03 67.91 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.458 1.103 . . . . 0.0 113.46 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.83 -43.46 11.82 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.168 0.987 . . . . 0.0 111.54 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.68 -28.3 69.81 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.73 0.696 . . . . 0.0 112.705 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.89 -36.36 70.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.683 0.793 . . . . 0.0 112.675 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.69 -44.66 81.17 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.679 0.792 . . . . 0.0 111.847 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.81 80.45 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.817 0.447 . . . . 0.0 112.196 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.21 -39.13 82.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.148 0.979 . . . . 0.0 112.494 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -28.99 70.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.16 -22.81 62.94 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.859 -1.151 . . . . 0.0 112.817 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -92.79 -12.99 29.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.363 1.465 . . . . 0.0 113.066 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -81.25 74.51 8.25 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.292 1.437 . . . . 0.0 110.777 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.56 -19.02 65.22 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.12 -16.47 19.53 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.665 1.186 . . . . 0.0 113.287 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 23.83 65.59 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.894 1.235 . . . . 0.0 113.809 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.02 -7.0 40.98 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.335 1.454 . . . . 0.0 114.018 -171.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 9.35 70.24 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.245 1.402 . . . . 0.0 114.062 -175.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -122.08 159.53 26.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.161 1.784 . . . . 0.0 112.068 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -119.79 159.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.532 1.133 . . . . 0.0 110.143 163.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -73.49 148.56 43.03 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -58.8 -32.9 69.77 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.047 0.939 . . . . 0.0 113.051 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -67.97 -19.65 64.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -86.73 -8.91 56.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.303 1.041 . . . . 0.0 113.172 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.64 -49.19 78.52 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.929 0.786 . . . . 0.0 111.13 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.05 73.16 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 123.093 0.377 . . . . 0.0 112.627 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -72.06 -48.92 40.79 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.74 -33.33 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.804 1.184 . . . . 0.0 112.48 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.86 -47.44 82.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.233 0.924 . . . . 0.0 111.475 170.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -72.87 -29.18 62.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.24 1.016 . . . . 0.0 112.991 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.5 m -68.63 -27.81 66.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.951 0.9 . . . . 0.0 112.664 171.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.0 4.31 34.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.423 1.489 . . . . 0.0 112.672 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.85 10.31 65.0 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.491 1.519 . . . . 0.0 115.443 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -88.13 162.83 16.52 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.719 1.26 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -147.56 50.06 0.86 Allowed Pre-proline 0 CA--C 1.556 1.186 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -69.54 164.83 32.86 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.627 2.885 . . . . 0.0 111.782 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -76.17 154.62 35.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.231 0.612 . . . . 0.0 109.823 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.92 -32.28 71.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 0.0 112.328 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.89 79.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.207 1.003 . . . . 0.0 112.801 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.08 -41.15 67.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.657 0.783 . . . . 0.0 110.684 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.33 -50.12 74.22 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.748 0.819 . . . . 0.0 110.791 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -60.24 -39.65 87.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.772 0.829 . . . . 0.0 112.49 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.24 -34.45 78.14 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -78.17 -38.99 42.26 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.504 -0.748 . . . . 0.0 111.309 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.74 -48.69 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.187 0.995 . . . . 0.0 109.882 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -61.73 -28.15 69.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.098 0.959 . . . . 0.0 113.186 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.36 -46.94 30.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.829 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.02 -24.9 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.94 38.49 0.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.785 1.234 . . . . 0.0 112.466 174.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.14 -24.46 67.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.307 1.443 . . . . 0.0 113.935 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.19 -16.32 60.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.907 1.283 . . . . 0.0 113.219 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.72 80.46 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.9 1.238 . . . . 0.0 113.728 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.58 -26.56 60.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 113.869 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.28 74.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.07 1.319 . . . . 0.0 113.17 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.1 p -137.27 161.18 36.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.925 1.69 . . . . 0.0 111.75 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.56 125.28 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.093 1.757 . . . . 0.0 108.557 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.22 153.78 22.4 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.459 1.104 . . . . 0.0 111.354 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -53.03 -48.75 90.71 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 -28.41 60.45 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.19 1.926 . . . . 0.0 113.695 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -74.26 -36.58 63.84 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.133 0.879 . . . . 0.0 111.488 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.8 -42.83 99.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.143 0.977 . . . . 0.0 112.127 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -26.89 68.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -67.51 -31.88 72.31 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.017 1.281 . . . . 0.0 112.628 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -70.79 -27.5 63.95 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.65 0.78 . . . . 0.0 112.868 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.8 mmm -81.89 -46.11 14.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.695 1.198 . . . . 0.0 112.137 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.707 0 C-N-CA 125.829 1.652 . . . . 0.0 113.576 -172.104 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.52 -40.01 88.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.716 0.806 . . . . 0.0 112.345 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.29 -36.0 58.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.538 0.735 . . . . 0.0 110.472 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.84 -44.97 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.015 0.926 . . . . 0.0 110.141 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -58.87 -44.22 91.03 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.551 -0.718 . . . . 0.0 112.048 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.62 -28.83 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.509 1.05 . . . . 0.0 112.958 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.31 82.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 110.449 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -63.72 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 171.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.54 -39.21 93.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.132 0.878 . . . . 0.0 111.886 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.62 -38.39 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.869 0.868 . . . . 0.0 112.393 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -81.35 -17.68 48.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.29 116.95 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.871 1.214 . . . . 0.0 110.057 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.73 -8.98 59.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.245 . . . . 0.0 114.227 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -129.16 -19.91 3.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.184 1.394 . . . . 0.0 114.014 -173.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.98 22.26 61.57 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.44 1.019 . . . . 0.0 113.034 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.7 -22.83 60.83 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.5 1.52 . . . . 0.0 114.377 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.65 74.34 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 125.172 1.367 . . . . 0.0 113.65 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -136.74 151.65 49.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.984 2.114 . . . . 0.0 110.804 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.48 159.07 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.903 1.281 . . . . 0.0 109.859 172.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 p -79.53 148.8 31.66 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.017 -1.052 . . . . 0.0 111.961 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.8 72.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.833 0.853 . . . . 0.0 112.108 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.56 85.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.251 1.02 . . . . 0.0 112.227 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.45 -47.4 76.29 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.998 0.519 . . . . 0.0 111.177 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.21 -47.66 84.49 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.84 0.745 . . . . 0.0 111.41 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.3 ttp-105 -56.33 -46.8 79.74 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 111.478 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.58 -45.22 91.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.476 0.71 . . . . 0.0 112.73 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.03 -53.93 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.173 0.589 . . . . 0.0 109.952 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.6 mmt -71.94 -20.72 61.71 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -167.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 p -88.18 -9.72 52.18 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 117.457 -1.258 . . . . 0.0 114.318 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.87 -24.04 2.45 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.96 154.84 19.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.891 1.276 . . . . 0.0 111.77 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.24 -136.39 34.74 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.348 0.975 . . . . 0.0 113.279 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -92.48 87.87 6.15 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.76 1.624 . . . . 0.0 108.47 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -53.73 138.92 34.16 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.596 1.158 . . . . 0.0 113.743 -165.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 mp -90.11 146.88 23.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.42 1.488 . . . . 0.0 112.292 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 m -71.94 159.9 33.46 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.954 1.701 . . . . 0.0 110.242 170.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.19 -42.71 66.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.939 1.296 . . . . 0.0 112.289 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.99 -28.33 66.51 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.66 -48.68 30.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.005 0.82 . . . . 0.0 109.879 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.02 -33.99 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.973 0.806 . . . . 0.0 112.634 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.96 -40.95 97.31 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.51 1.05 . . . . 0.0 111.416 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -71.29 -39.99 71.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 112.476 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.1 -50.37 73.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.68 0.673 . . . . 0.0 110.379 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.18 -40.21 88.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.488 0.715 . . . . 0.0 111.326 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -61.1 -38.5 86.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.729 1.15 . . . . 0.0 112.099 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -80.47 -27.9 37.72 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.81 -40.12 19.12 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.038 -1.038 . . . . 0.0 113.663 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 126.779 2.032 . . . . 0.0 111.908 -179.742 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -103.43 129.22 50.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.046 1.338 . . . . 0.0 110.31 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -91.6 121.05 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.677 1.591 . . . . 0.0 109.421 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.82 76.36 5.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.291 1.437 . . . . 0.0 109.57 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -64.09 -29.52 70.65 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.97 -46.67 88.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.847 0.859 . . . . 0.0 111.627 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.27 -25.82 36.25 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.787 -0.571 . . . . 0.0 112.408 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.66 -34.8 71.64 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.197 -0.94 . . . . 0.0 112.603 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.15 -54.7 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 118.547 0.612 . . . . 0.0 111.136 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.32 -32.85 72.23 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.19 -28.59 69.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -90.82 -29.12 17.76 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.4 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 120.211 1.369 . . . . 0.0 113.155 -179.84 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.79 -36.81 83.27 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.105 -0.997 . . . . 0.0 112.256 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.5 m -81.79 -30.48 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.021 0.528 . . . . 0.0 112.19 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.9 m -61.29 -43.39 98.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.81 0.732 . . . . 0.0 111.481 172.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.19 55.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.379 0.671 . . . . 0.0 110.782 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.9 mtm -57.21 -36.37 70.79 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -40.9 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.193 0.597 . . . . 0.0 111.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.82 -40.79 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.469 -0.769 . . . . 0.0 110.956 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.66 -40.18 88.51 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.692 0.797 . . . . 0.0 111.677 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.69 -42.32 99.57 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.142 0.577 . . . . 0.0 111.716 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.52 89.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.748 0.819 . . . . 0.0 112.542 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -66.55 -39.03 88.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.239 0.615 . . . . 0.0 111.904 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.66 -34.99 76.66 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.242 -0.911 . . . . 0.0 112.235 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -63.15 -40.37 97.35 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.362 0.983 . . . . 0.0 111.727 167.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.26 -50.12 74.9 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.169 0.895 . . . . 0.0 111.739 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 N--CA 1.471 0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 112.912 177.471 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.6 p -120.52 162.23 19.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.577 1.951 . . . . 0.0 110.56 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.28 -33.65 71.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.52 -21.98 61.84 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -83.97 -43.63 15.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.201 -0.937 . . . . 0.0 110.036 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.38 -39.55 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.333 1.053 . . . . 0.0 111.395 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -26.04 68.12 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.163 0.985 . . . . 0.0 113.612 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -87.29 -42.0 13.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.431 1.092 . . . . 0.0 111.365 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -67.1 -28.5 68.22 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.635 0.774 . . . . 0.0 112.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -60.99 -42.12 97.82 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.636 1.175 . . . . 0.0 112.914 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.08 -38.42 88.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.427 0.691 . . . . 0.0 111.648 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.67 53.02 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.119 0.568 . . . . 0.0 112.04 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -58.57 -39.72 81.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.439 1.095 . . . . 0.0 112.284 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -70.0 -14.46 62.71 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.29 -32.05 55.22 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.78 1.173 . . . . 0.0 111.695 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -86.4 -10.21 54.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.475 1.51 . . . . 0.0 113.126 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -79.74 76.91 6.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.333 1.453 . . . . 0.0 110.228 167.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.94 -23.56 64.16 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.98 -17.04 24.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.017 1.327 . . . . 0.0 113.479 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.98 30.16 48.33 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.615 1.102 . . . . 0.0 113.066 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -102.02 -6.18 23.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.773 1.629 . . . . 0.0 114.143 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.11 11.5 67.22 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.971 1.272 . . . . 0.0 114.518 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.0 p -126.79 160.84 29.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.3 1.84 . . . . 0.0 111.419 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -117.07 160.55 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.877 0.871 . . . . 0.0 110.31 165.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -72.58 150.3 43.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -55.62 -36.77 67.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.984 1.314 . . . . 0.0 112.301 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.78 -28.54 67.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.035 1.334 . . . . 0.0 113.677 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.68 -8.35 56.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.707 1.203 . . . . 0.0 113.14 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.71 -49.82 75.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.971 1.259 . . . . 0.0 111.405 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.68 -21.93 73.2 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.277 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 m -78.1 -50.66 11.59 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.66 1.23 . . . . 0.0 110.476 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.46 -38.46 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.058 0.845 . . . . 0.0 112.585 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.23 -40.42 86.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.703 1.138 . . . . 0.0 112.475 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -73.01 -28.24 62.25 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.806 -0.559 . . . . 0.0 112.506 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -69.33 -28.52 66.31 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.982 -1.074 . . . . 0.0 112.93 169.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -83.47 10.07 9.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.161 1.784 . . . . 0.0 112.561 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.41 12.84 82.03 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.623 1.106 . . . . 0.0 114.587 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.78 147.24 37.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.78 1.29 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -116.25 28.94 0.12 Allowed Pre-proline 0 CA--C 1.563 1.472 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -68.71 159.2 54.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.605 1.966 . . . . 0.0 110.884 171.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -72.2 166.17 22.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.266 0.626 . . . . 0.0 112.504 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.71 -33.85 70.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.965 0.506 . . . . 0.0 111.794 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -40.74 73.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.126 0.971 . . . . 0.0 112.637 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.7 -39.86 88.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.21 0.604 . . . . 0.0 111.455 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.16 -37.77 86.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.695 0.68 . . . . 0.0 111.868 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.2 -40.85 94.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.547 0.739 . . . . 0.0 111.274 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.67 -33.49 75.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.047 0.939 . . . . 0.0 112.831 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtt -66.03 -31.06 71.73 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.993 0.917 . . . . 0.0 112.098 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.13 -52.91 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.757 0.823 . . . . 0.0 109.418 171.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -55.55 -27.89 51.61 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -68.31 -23.64 64.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.079 1.351 . . . . 0.0 113.164 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.4 m -123.86 -24.85 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -88.72 8.63 27.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 113.456 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.47 69.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.209 1.403 . . . . 0.0 113.425 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.24 -0.5 56.81 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.883 1.273 . . . . 0.0 113.115 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.51 28.55 39.11 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.133 1.349 . . . . 0.0 113.585 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.21 -39.98 96.17 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.6 -7.84 23.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.533 1.54 . . . . 0.0 114.741 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -143.82 160.35 40.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.146 2.178 . . . . 0.0 111.006 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.4 130.91 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.906 1.682 . . . . 0.0 109.154 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -90.23 152.02 21.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.68 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -52.69 -51.85 69.77 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -170.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.92 -26.54 59.08 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.317 1.863 . . . . 0.0 113.554 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.44 -42.54 64.93 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.664 1.12 . . . . 0.0 110.955 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.1 -42.88 81.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.763 1.225 . . . . 0.0 112.247 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 -39.0 87.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.366 0.53 . . . . 0.0 112.374 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 m -64.3 -45.71 86.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.3 1.04 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.84 -31.46 72.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -65.4 -55.37 18.46 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.128 0.877 . . . . 0.0 110.99 170.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.225 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.25 -37.61 60.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.055 0.942 . . . . 0.0 111.817 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.93 -41.63 86.69 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.455 -0.778 . . . . 0.0 110.704 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mt -65.04 -38.23 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.509 1.123 . . . . 0.0 110.849 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.55 -44.55 96.0 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.992 0.917 . . . . 0.0 112.617 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.24 -32.51 74.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.481 0.712 . . . . 0.0 112.217 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.56 71.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 112.753 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -78.05 -36.92 47.88 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.557 -0.714 . . . . 0.0 112.354 168.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -62.52 -35.15 78.48 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.286 0.635 . . . . 0.0 112.516 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.27 -19.17 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.8 -0.35 55.88 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.017 1.327 . . . . 0.0 113.69 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -79.29 65.22 4.4 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.087 1.355 . . . . 0.0 110.876 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -63.61 -25.94 68.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.451 1.5 . . . . 0.0 113.929 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.64 -14.55 48.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.136 1.374 . . . . 0.0 113.482 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.03 11.75 83.77 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.862 1.22 . . . . 0.0 114.014 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -86.11 -18.27 32.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.861 1.265 . . . . 0.0 114.307 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.98 17.35 54.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.494 1.521 . . . . 0.0 114.022 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -139.65 155.95 47.11 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.655 1.582 . . . . 0.0 112.679 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.16 173.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.044 1.738 . . . . 0.0 109.654 167.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.4 p -105.46 162.2 13.67 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.408 -1.433 . . . . 0.0 112.454 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.93 74.69 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.085 -1.009 . . . . 0.0 111.525 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.85 81.31 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.67 0.788 . . . . 0.0 112.356 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.07 -44.85 91.16 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.497 0.719 . . . . 0.0 110.661 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 mt -56.63 -41.32 76.91 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.173 0.897 . . . . 0.0 112.229 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -66.47 -9.67 36.71 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -110.14 -52.73 2.75 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.994 1.317 . . . . 0.0 112.131 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.06 -23.85 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.636 1.174 . . . . 0.0 113.21 -170.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.8 mmt -87.89 -13.85 40.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.466 1.107 . . . . 0.0 113.751 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -115.55 3.12 13.96 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -165.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.36 -18.9 0.87 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.34 127.05 41.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.527 1.131 . . . . 0.0 110.34 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.31 -140.51 37.54 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.65 0.643 . . . . 0.0 111.805 -174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.54 150.87 48.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.16 0.505 . . . . 0.0 110.701 164.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -94.46 127.45 40.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.983 -1.073 . . . . 0.0 112.216 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -73.32 140.61 46.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.7 0.8 . . . . 0.0 110.823 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -66.51 150.62 48.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.767 1.627 . . . . 0.0 110.937 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.33 -29.25 70.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.875 1.27 . . . . 0.0 113.961 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.52 -35.73 45.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.66 0.784 . . . . 0.0 111.671 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.6 -40.81 55.89 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.977 0.911 . . . . 0.0 111.709 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.52 -32.69 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.56 1.073 . . . . 0.0 111.654 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.14 -39.96 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.333 -0.854 . . . . 0.0 112.072 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.72 -33.86 74.65 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.973 0.909 . . . . 0.0 112.015 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.3 ttm -59.29 -47.29 85.93 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.234 -0.916 . . . . 0.0 110.93 168.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.47 -28.22 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.057 0.943 . . . . 0.0 113.189 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -52.1 -37.82 55.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.434 1.015 . . . . 0.0 112.502 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -11.21 34.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.695 1.198 . . . . 0.0 113.609 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -38.3 14.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.935 1.243 . . . . 0.0 113.005 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.35 1.86 . . . . 0.0 114.501 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.434 0 CA-C-O 120.087 -0.285 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -84.17 149.05 26.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.161 1.384 . . . . 0.0 109.997 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 119.33 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.59 96.89 5.59 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 162.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -66.65 -22.54 66.1 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.97 -44.03 97.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.748 1.219 . . . . 0.0 111.737 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.16 -29.69 57.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.815 0.846 . . . . 0.0 112.336 170.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.55 -37.07 85.91 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.025 -1.047 . . . . 0.0 112.345 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -51.22 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.873 0.869 . . . . 0.0 110.244 168.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.25 -38.87 92.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.37 0.668 . . . . 0.0 112.174 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.1 mtm -68.85 -33.95 74.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 112.847 174.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.7 ttm -71.53 -43.33 66.63 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.682 0.793 . . . . 0.0 111.984 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.478 0.936 0 C-N-CA 125.01 1.324 . . . . 0.0 114.115 -175.671 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.6 -46.93 62.47 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.361 -0.837 . . . . 0.0 111.625 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -67.52 -32.51 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.739 0.7 . . . . 0.0 111.548 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 60.6 m -62.27 -45.86 91.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.516 1.053 . . . . 0.0 112.082 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.59 86.18 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.51 -0.744 . . . . 0.0 111.336 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.5 mtm -66.76 -31.0 71.36 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 8.8 t -65.26 -44.78 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.464 1.105 . . . . 0.0 111.315 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.33 -41.0 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.464 0.575 . . . . 0.0 110.825 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -62.47 -40.93 98.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.618 0.767 . . . . 0.0 111.833 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -65.81 -42.45 90.64 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.113 -0.992 . . . . 0.0 111.187 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.68 88.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.944 0.898 . . . . 0.0 112.502 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 55.7 t80 -67.77 -41.52 83.17 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.879 -0.513 . . . . 0.0 111.704 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -63.59 -35.81 81.74 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.006 -1.058 . . . . 0.0 112.188 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.56 -40.66 84.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.084 0.954 . . . . 0.0 111.944 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.83 -42.83 94.4 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.867 0.867 . . . . 0.0 111.731 172.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.019 0.928 . . . . 0.0 112.709 176.164 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.0 p -132.05 159.86 37.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.292 1.837 . . . . 0.0 111.347 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.76 -39.69 74.48 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.327 1.051 . . . . 0.0 112.651 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.99 -22.8 63.1 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -84.34 -44.48 13.75 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.57 0.748 . . . . 0.0 110.675 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.73 -39.25 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.589 1.156 . . . . 0.0 111.636 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.22 68.15 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.247 1.019 . . . . 0.0 113.639 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -90.37 -37.24 14.14 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.246 1.018 . . . . 0.0 112.036 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -63.9 -28.73 70.03 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.428 -0.795 . . . . 0.0 112.976 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.7 tppt? -54.64 -40.64 69.2 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.598 1.159 . . . . 0.0 112.378 170.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.28 -42.88 78.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.677 0.791 . . . . 0.0 112.12 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.96 75.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.129 0.572 . . . . 0.0 112.21 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.01 -34.49 78.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.058 0.943 . . . . 0.0 112.115 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 t -62.17 -31.16 71.63 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.804 1.242 . . . . 0.0 113.88 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -25.26 61.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.695 -1.253 . . . . 0.0 112.811 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -90.51 -15.58 30.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.166 1.387 . . . . 0.0 112.509 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -78.16 69.22 4.34 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.822 1.649 . . . . 0.0 110.948 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -65.73 -24.88 67.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.055 1.342 . . . . 0.0 114.101 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.54 -19.49 31.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 113.109 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.3 9.87 86.57 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.81 1.195 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -91.2 -13.14 33.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.025 1.73 . . . . 0.0 113.741 -173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 19.63 17.17 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.116 1.341 . . . . 0.0 115.099 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -128.61 153.29 47.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.462 1.505 . . . . 0.0 111.695 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -115.49 162.42 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.088 1.355 . . . . 0.0 110.832 169.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 151.13 41.87 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.433 -0.792 . . . . 0.0 109.075 168.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -57.33 -36.69 71.47 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.364 1.066 . . . . 0.0 111.751 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.12 -24.04 67.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 113.776 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.85 -7.77 57.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.901 1.28 . . . . 0.0 112.613 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.51 -50.03 75.19 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.981 -1.075 . . . . 0.0 111.72 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.5 63.26 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.391 0.519 . . . . 0.0 112.852 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 -44.99 19.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.089 1.356 . . . . 0.0 110.771 173.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.18 -28.85 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 120.377 1.444 . . . . 0.0 112.243 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -56.94 -56.57 20.02 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.169 0.987 . . . . 0.0 110.765 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -67.99 -30.25 69.47 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -63.63 -36.2 83.05 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.88 -1.137 . . . . 0.0 112.712 171.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.54 -4.26 55.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.187 1.395 . . . . 0.0 114.033 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 9.59 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.831 1.205 . . . . 0.0 114.314 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.9 146.71 33.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.341 1.056 . . . . 0.0 109.83 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -128.92 48.44 3.64 Favored Pre-proline 0 CA--C 1.556 1.189 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -65.29 149.89 87.94 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.731 2.287 . . . . 0.0 110.746 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -71.88 167.26 20.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.713 0.805 . . . . 0.0 111.917 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.94 -37.17 71.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.722 0.809 . . . . 0.0 111.518 169.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.31 79.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 112.557 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.4 -44.33 91.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.593 0.633 . . . . 0.0 111.783 174.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.93 -49.31 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.511 0.724 . . . . 0.0 110.88 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -65.23 -38.65 91.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.043 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.09 -34.74 78.73 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.563 1.074 . . . . 0.0 112.84 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -71.62 -41.65 68.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.57 0.623 . . . . 0.0 110.565 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.58 -46.59 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.96 0.904 . . . . 0.0 110.582 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -57.66 -31.95 66.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.599 1.159 . . . . 0.0 112.635 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.71 -48.85 12.97 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.633 0.773 . . . . 0.0 112.234 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -80.58 -26.18 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -174.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -95.64 27.8 3.29 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.924 1.29 . . . . 0.0 112.848 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.87 64.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -84.99 -12.22 53.73 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 113.441 173.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.73 12.01 82.09 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.195 1.379 . . . . 0.0 115.747 171.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.74 -22.69 64.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.956 1.378 . . . . 0.0 114.353 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.38 9.27 85.16 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.404 1.478 . . . . 0.0 114.054 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -134.45 159.82 39.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.741 1.616 . . . . 0.0 112.565 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.3 mt -128.46 130.99 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.165 1.786 . . . . 0.0 109.176 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.22 151.96 20.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.083 1.753 . . . . 0.0 111.085 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 34.1 t80 -50.37 -52.76 51.77 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -171.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.73 -24.51 47.37 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.482 2.121 . . . . 0.0 113.591 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.29 -38.51 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.207 0.912 . . . . 0.0 111.016 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.89 -39.93 95.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.518 1.127 . . . . 0.0 112.08 169.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.39 -34.46 78.21 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.908 -1.12 . . . . 0.0 112.539 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 m -61.85 -41.57 97.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.07 0.948 . . . . 0.0 111.233 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ptp -75.28 -32.52 61.04 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.279 0.945 . . . . 0.0 112.975 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mmm -64.88 -33.9 77.1 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.096 0.862 . . . . 0.0 112.735 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 124.259 1.024 . . . . 0.0 112.748 175.56 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.83 -34.68 78.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.048 0.939 . . . . 0.0 112.687 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.81 -41.25 75.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.265 0.938 . . . . 0.0 110.41 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.2 -41.7 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.628 0.771 . . . . 0.0 110.097 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -65.45 -43.26 90.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.634 0.652 . . . . 0.0 112.154 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.71 -36.31 76.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.744 0.818 . . . . 0.0 112.412 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.7 70.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -80.43 -38.96 29.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.076 0.853 . . . . 0.0 112.928 167.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -58.2 -34.52 70.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.992 0.917 . . . . 0.0 112.714 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.06 -26.6 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.76 -12.88 40.9 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.374 1.07 . . . . 0.0 113.144 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.73 127.76 32.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.952 0.901 . . . . 0.0 110.225 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.94 -10.31 59.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.441 1.096 . . . . 0.0 113.845 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -131.08 -14.08 3.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.463 1.905 . . . . 0.0 113.555 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.1 8.97 85.82 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.353 1.454 . . . . 0.0 113.563 -171.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -67.06 -24.39 65.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.671 1.988 . . . . 0.0 115.485 -166.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.05 12.63 17.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.376 1.465 . . . . 0.0 114.382 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -139.26 140.47 37.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.893 1.277 . . . . 0.0 114.281 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.93 158.42 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.419 1.888 . . . . 0.0 109.839 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 m -78.01 149.05 34.1 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.142 -0.974 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.53 98.69 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.749 -1.219 . . . . 0.0 112.448 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.474 -0.767 . . . . 0.0 111.952 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.98 -49.66 73.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.89 1.676 . . . . 0.0 111.324 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.99 -46.79 85.99 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.488 -0.758 . . . . 0.0 111.242 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -55.71 -45.44 77.9 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.526 0.731 . . . . 0.0 111.547 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.86 -45.03 65.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.93 -26.26 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.467 -1.396 . . . . 0.0 112.246 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.94 -34.88 62.15 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.685 1.194 . . . . 0.0 113.819 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.3 p -84.85 -22.9 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.228 0.922 . . . . 0.0 112.803 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -99.69 -40.04 7.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -170.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.7 157.95 15.67 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.613 1.165 . . . . 0.0 112.584 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.39 -147.98 46.5 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.312 1.434 . . . . 0.0 113.82 168.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.78 122.03 18.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 157.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -75.34 119.74 19.86 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.741 -0.6 . . . . 0.0 111.856 -166.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.1 153.91 31.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.781 0.832 . . . . 0.0 110.504 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 p -86.98 156.62 19.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.874 1.269 . . . . 0.0 112.821 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -55.94 -39.18 71.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.926 1.29 . . . . 0.0 112.808 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.14 -34.68 76.79 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.792 0.837 . . . . 0.0 112.206 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -77.18 -44.91 28.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.47 -29.06 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.66 1.118 . . . . 0.0 112.513 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.11 -41.21 90.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.514 1.052 . . . . 0.0 111.582 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -70.05 -33.13 71.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.13 0.572 . . . . 0.0 111.987 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -64.75 -47.65 77.45 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.465 -0.772 . . . . 0.0 110.909 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.57 -44.8 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.552 1.141 . . . . 0.0 111.362 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.52 -40.4 62.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.879 1.272 . . . . 0.0 112.414 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -91.77 -27.35 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.55 -42.37 12.11 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -175.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.475 0.792 0 O-C-N 121.337 -0.852 . . . . 0.0 112.919 -172.237 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.318 0 CA-C-O 120.033 -0.315 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -101.51 133.98 45.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.245 1.418 . . . . 0.0 109.394 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.85 121.01 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.909 1.683 . . . . 0.0 109.102 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.04 97.24 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 165.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -73.6 -25.44 60.33 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.29 -43.91 98.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.959 0.904 . . . . 0.0 111.615 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -74.9 -34.96 62.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.85 0.86 . . . . 0.0 111.87 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -63.16 -36.48 83.76 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.389 -0.819 . . . . 0.0 112.87 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.1 t -55.28 -33.55 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.795 0.838 . . . . 0.0 112.627 174.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.22 -46.06 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.183 0.901 . . . . 0.0 111.786 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.9 ptp -74.31 -11.77 60.36 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.7 mtm -84.25 -37.91 21.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.48 1.037 0 C-N-CA 124.81 1.244 . . . . 0.0 113.775 -175.797 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.44 -35.73 78.02 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.656 -0.653 . . . . 0.0 112.208 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.8 m -87.23 -29.13 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.887 0.875 . . . . 0.0 112.754 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 67.8 m -64.36 -39.19 93.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.124 -0.985 . . . . 0.0 111.645 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.76 51.98 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.96 -17.3 35.75 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 97.3 t -82.11 -41.51 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.301 0.955 . . . . 0.0 111.131 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.56 -43.03 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.561 -0.712 . . . . 0.0 110.754 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.01 -29.29 68.26 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.91 -44.84 91.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.524 1.056 . . . . 0.0 111.036 170.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.55 76.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.957 0.903 . . . . 0.0 111.901 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.48 -36.8 71.27 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.985 -1.072 . . . . 0.0 112.939 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -63.44 -32.69 74.21 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.535 -1.353 . . . . 0.0 111.88 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -69.84 -42.7 73.24 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.421 1.088 . . . . 0.0 111.819 170.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -52.69 -48.95 66.21 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.822 -1.174 . . . . 0.0 112.079 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 123.524 0.73 . . . . 0.0 111.833 178.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -117.97 158.07 25.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.692 1.597 . . . . 0.0 110.841 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.82 -31.53 70.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.34 -24.51 63.0 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.971 0.909 . . . . 0.0 113.239 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -80.17 -45.76 17.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.352 0.661 . . . . 0.0 109.94 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.44 -35.31 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.062 0.945 . . . . 0.0 111.561 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.66 70.65 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.2 1.0 . . . . 0.0 113.624 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.79 -38.89 20.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.1 0.96 . . . . 0.0 111.441 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -65.82 -33.11 75.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.728 0.811 . . . . 0.0 111.813 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 3.8 tppp? -55.81 -46.97 77.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.421 1.088 . . . . 0.0 111.415 170.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.62 -42.63 95.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.627 0.771 . . . . 0.0 111.447 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.59 80.66 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -66.94 -35.22 79.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.038 0.935 . . . . 0.0 112.229 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -61.55 -31.09 71.1 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.68 1.192 . . . . 0.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -27.99 67.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.455 -0.778 . . . . 0.0 112.06 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -92.59 -16.95 25.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.439 1.496 . . . . 0.0 112.944 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.02 72.0 4.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.111 1.364 . . . . 0.0 111.427 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -64.7 -31.17 72.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.387 1.075 . . . . 0.0 113.607 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.05 -16.64 35.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.875 1.27 . . . . 0.0 113.35 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 8.73 87.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.852 1.215 . . . . 0.0 114.372 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.93 -11.95 49.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.363 1.465 . . . . 0.0 113.47 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.53 27.97 12.19 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.325 1.441 . . . . 0.0 113.804 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -132.89 154.27 50.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.089 1.356 . . . . 0.0 112.565 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.81 164.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.283 1.833 . . . . 0.0 110.139 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -80.78 164.47 22.7 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.201 0.91 . . . . 0.0 110.656 165.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -63.44 -19.68 64.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.072 0.949 . . . . 0.0 111.464 170.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -74.15 -18.58 60.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.04 -9.91 23.31 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.742 1.617 . . . . 0.0 112.755 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.89 -49.94 75.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.013 0.925 . . . . 0.0 111.049 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.26 -26.34 70.46 Favored Glycine 0 N--CA 1.471 1.014 0 O-C-N 121.593 -0.692 . . . . 0.0 113.488 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -74.44 -48.58 26.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.887 1.275 . . . . 0.0 110.837 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -29.7 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.888 0.767 . . . . 0.0 112.814 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 mmt -56.98 -52.28 65.87 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.296 0.953 . . . . 0.0 111.173 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.71 -30.93 67.61 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.817 . . . . 0.0 112.76 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -66.83 -28.52 68.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.303 -0.873 . . . . 0.0 112.825 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.82 -0.15 54.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.136 1.374 . . . . 0.0 113.109 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 8.57 77.65 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.037 1.303 . . . . 0.0 114.627 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -82.72 149.54 27.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.736 1.268 . . . . 0.0 110.206 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -123.87 49.76 3.0 Favored Pre-proline 0 CA--C 1.557 1.217 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.41 150.24 80.68 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.768 2.312 . . . . 0.0 111.013 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -74.4 169.66 17.25 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 111.432 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.74 -32.97 67.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.808 0.443 . . . . 0.0 111.932 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.69 65.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.35 1.06 . . . . 0.0 112.397 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -69.24 -32.99 72.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.621 0.646 . . . . 0.0 112.06 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.41 -47.64 72.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.231 0.612 . . . . 0.0 111.145 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.11 -39.49 86.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.806 0.73 . . . . 0.0 111.834 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.44 -34.72 74.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.803 1.241 . . . . 0.0 113.28 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.7 mtm -78.99 -46.77 17.54 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.774 0.829 . . . . 0.0 111.555 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.24 -50.39 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.278 1.031 . . . . 0.0 111.23 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -21.78 65.96 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.718 1.144 . . . . 0.0 113.264 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.21 -47.95 46.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.66 0.784 . . . . 0.0 111.076 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.43 -31.97 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.836 0.744 . . . . 0.0 112.782 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.25 5.07 11.12 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.708 1.203 . . . . 0.0 113.611 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.21 -21.01 66.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.499 0.72 . . . . 0.0 112.391 167.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.15 -21.03 61.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.042 1.737 . . . . 0.0 113.152 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.15 72.62 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.233 1.397 . . . . 0.0 116.093 170.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -81.96 -11.81 58.68 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.484 1.642 . . . . 0.0 115.012 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.95 6.24 88.77 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 124.371 0.986 . . . . 0.0 115.532 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -128.74 163.63 24.72 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.797 . . . . 0.0 111.172 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.28 129.1 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.92 2.088 . . . . 0.0 108.312 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.24 158.79 16.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.58 1.152 . . . . 0.0 112.709 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 41.6 t80 -56.95 -48.5 97.32 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.851 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -54.09 -43.93 53.92 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.607 2.205 . . . . 0.0 114.286 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.54 -42.82 86.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.914 0.886 . . . . 0.0 112.067 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -56.6 -48.92 76.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.868 1.267 . . . . 0.0 111.246 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.6 -33.18 74.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.668 0.787 . . . . 0.0 112.891 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.0 m -65.92 -50.1 65.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.183 0.993 . . . . 0.0 111.013 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.54 -32.69 71.66 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.675 0.671 . . . . 0.0 112.669 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 46.8 mmm -61.59 -45.25 94.9 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.157 0.89 . . . . 0.0 112.403 171.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 124.475 1.11 . . . . 0.0 112.028 176.216 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.22 -42.69 79.4 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.557 0.743 . . . . 0.0 111.703 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.87 -42.22 90.63 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.44 -0.787 . . . . 0.0 110.953 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.8 mt -65.37 -43.73 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.744 0.818 . . . . 0.0 110.361 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -60.41 -43.47 96.68 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.528 0.604 . . . . 0.0 111.924 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.09 -34.55 78.29 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.311 0.505 . . . . 0.0 112.333 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.05 97.4 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.407 -0.808 . . . . 0.0 111.554 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -68.21 -35.29 77.75 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -63.03 -38.19 90.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.209 1.004 . . . . 0.0 111.851 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.2 t -57.89 -31.61 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.037 0.935 . . . . 0.0 111.943 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.31 -3.72 53.0 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -90.2 104.12 16.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.66 1.184 . . . . 0.0 109.699 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -76.27 -13.94 60.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.426 1.09 . . . . 0.0 113.37 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -112.22 -23.06 10.62 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.314 1.446 . . . . 0.0 113.433 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.98 18.3 75.18 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.623 1.106 . . . . 0.0 112.932 -171.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.92 -17.78 58.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.835 1.654 . . . . 0.0 114.642 -171.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.04 69.87 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.92 1.248 . . . . 0.0 113.505 -172.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -136.86 149.12 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.035 1.734 . . . . 0.0 112.047 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 pt -133.53 161.78 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.292 1.437 . . . . 0.0 111.145 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -76.21 141.8 41.68 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.881 -1.137 . . . . 0.0 111.962 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.7 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.503 -0.748 . . . . 0.0 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.39 80.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.574 0.749 . . . . 0.0 112.32 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.3 -49.1 68.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.862 0.865 . . . . 0.0 110.753 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -39.53 85.4 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 0.894 . . . . 0.0 111.903 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -62.52 -41.86 99.13 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.702 -0.624 . . . . 0.0 111.565 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -72.75 -43.05 63.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.219 1.007 . . . . 0.0 113.343 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -23.72 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.476 -1.39 . . . . 0.0 113.079 -173.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.6 mmt -81.08 -18.05 47.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.986 1.714 . . . . 0.0 114.071 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -115.65 -12.64 11.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.112 1.365 . . . . 0.0 113.695 -175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -101.17 -33.61 10.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.546 1.138 . . . . 0.0 114.046 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.9 mt -112.72 150.91 30.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.337 1.455 . . . . 0.0 112.419 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.69 -151.82 50.68 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.665 1.126 . . . . 0.0 113.475 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.15 142.48 50.71 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 160.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -93.43 138.77 31.42 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -167.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.52 153.06 25.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.029 0.931 . . . . 0.0 110.693 167.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -77.34 153.41 33.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.577 1.151 . . . . 0.0 112.128 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.53 -38.5 87.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.05 -29.44 67.58 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.68 0.792 . . . . 0.0 112.727 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.86 -47.1 9.99 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.575 1.15 . . . . 0.0 110.805 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.18 -32.89 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.89 1.223 . . . . 0.0 112.596 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.61 -36.3 83.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.207 -0.933 . . . . 0.0 112.116 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.93 -37.34 62.05 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.844 0.858 . . . . 0.0 111.566 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 54.8 ttm -53.97 -45.05 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.112 0.965 . . . . 0.0 111.325 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.8 mm -67.58 -51.36 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 122.999 0.52 . . . . 0.0 110.871 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -54.8 -42.9 72.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.709 0.804 . . . . 0.0 112.718 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -84.27 -11.22 56.81 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.4 -39.08 10.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.213 1.005 . . . . 0.0 112.649 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 N--CA 1.472 0.637 0 C-N-CA 125.54 1.536 . . . . 0.0 113.122 -177.356 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.005 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -84.53 151.35 24.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 109.84 161.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.6 t -85.16 124.48 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.116 1.766 . . . . 0.0 110.018 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -80.62 67.39 6.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.555 1.542 . . . . 0.0 111.018 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -61.99 -31.32 71.67 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.6 -29.07 69.8 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.74 -42.11 18.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.634 0.774 . . . . 0.0 111.304 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.76 -31.43 70.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.901 0.88 . . . . 0.0 113.1 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 t -44.29 -50.34 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.138 1.375 . . . . 0.0 111.564 166.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -86.07 -30.86 22.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.693 0.797 . . . . 0.0 111.876 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.9 mtm -65.66 -24.23 66.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.691 0.678 . . . . 0.0 112.656 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.3 mtm -75.68 -44.27 43.16 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.658 0.783 . . . . 0.0 113.04 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 123.767 0.827 . . . . 0.0 113.067 -175.577 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.98 -40.89 87.53 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.115 0.966 . . . . 0.0 112.276 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.1 m -81.38 -31.56 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.548 0.739 . . . . 0.0 112.767 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 71.4 m -61.56 -41.79 97.91 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.261 0.937 . . . . 0.0 111.789 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.64 58.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.503 1.121 . . . . 0.0 113.548 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -83.41 -21.29 33.04 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.6 t -76.46 -43.46 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.915 1.234 . . . . 0.0 111.247 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.97 -47.85 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 122.58 0.352 . . . . 0.0 110.767 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.18 -28.33 67.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.297 -0.859 . . . . 0.0 113.02 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.333 1.424 . . . . 0.0 111.466 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.04 76.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.758 0.823 . . . . 0.0 112.114 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -68.02 -40.83 82.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.233 0.613 . . . . 0.0 112.531 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.67 -45.8 90.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.371 1.068 . . . . 0.0 111.136 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -62.29 -41.48 98.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.17 -46.77 89.15 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.528 -0.732 . . . . 0.0 112.207 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.471 0.591 0 O-C-N 121.196 -0.94 . . . . 0.0 112.893 178.02 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -111.02 160.21 17.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.7 -34.43 74.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.177 0.991 . . . . 0.0 112.714 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.25 -22.47 63.84 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.95 -44.92 14.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.141 0.977 . . . . 0.0 110.463 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.67 -32.6 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.417 1.487 . . . . 0.0 111.874 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.27 67.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 113.444 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -88.95 -41.88 12.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.372 1.069 . . . . 0.0 111.443 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -65.96 -29.26 69.62 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.633 -0.667 . . . . 0.0 112.73 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.1 tppt? -51.91 -44.36 63.79 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 112.231 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.92 -36.13 79.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.915 0.886 . . . . 0.0 111.815 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.98 -42.06 40.44 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.25 0.477 . . . . 0.0 112.016 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.83 -43.45 98.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.238 1.015 . . . . 0.0 112.361 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -69.13 -15.12 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -26.86 59.78 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.896 1.226 . . . . 0.0 111.767 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -95.0 -2.83 49.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.011 1.724 . . . . 0.0 113.38 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -79.27 69.95 5.58 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.415 1.886 . . . . 0.0 110.448 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.16 -29.87 70.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.875 1.27 . . . . 0.0 113.382 -174.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.55 -19.44 38.56 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.946 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 3.31 90.61 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.007 1.289 . . . . 0.0 114.927 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -89.23 -9.61 50.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.363 1.465 . . . . 0.0 113.478 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.81 27.46 9.59 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.006 1.288 . . . . 0.0 113.555 -176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -130.73 137.44 49.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.278 1.431 . . . . 0.0 111.256 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -100.22 159.13 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.366 0.667 . . . . 0.0 110.289 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -75.15 150.4 38.75 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.296 1.038 . . . . 0.0 112.371 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.57 -25.5 66.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.234 1.014 . . . . 0.0 113.385 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.87 -6.61 58.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.812 1.245 . . . . 0.0 113.433 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.03 -47.49 85.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.381 0.991 . . . . 0.0 110.816 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.98 -27.98 72.1 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.848 -0.532 . . . . 0.0 112.944 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -74.14 -49.9 21.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.184 0.994 . . . . 0.0 110.833 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.79 -32.82 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.295 0.952 . . . . 0.0 111.829 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -57.47 -51.86 67.73 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.094 0.861 . . . . 0.0 111.209 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -62.32 -40.22 95.62 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.086 0.954 . . . . 0.0 112.768 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -65.46 -26.33 67.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.956 -1.09 . . . . 0.0 113.442 175.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -92.7 12.66 22.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 0.0 112.973 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.74 78.62 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.796 1.189 . . . . 0.0 115.0 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -81.65 146.31 30.12 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.608 1.204 . . . . 0.0 109.693 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -122.16 36.91 0.29 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -67.99 150.71 78.02 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.258 1.972 . . . . 0.0 110.997 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -73.62 167.95 20.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.754 1.222 . . . . 0.0 111.423 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.11 -38.36 68.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.763 0.825 . . . . 0.0 111.844 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.143 0.977 . . . . 0.0 112.389 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.3 -33.89 73.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.713 0.805 . . . . 0.0 111.736 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -50.9 68.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.809 0.844 . . . . 0.0 110.814 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -62.95 -37.42 86.98 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.391 0.542 . . . . 0.0 112.039 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.59 -31.5 68.1 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.889 1.276 . . . . 0.0 113.438 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -82.74 -43.54 16.67 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.621 0.768 . . . . 0.0 111.547 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.4 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.178 0.991 . . . . 0.0 110.78 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -20.82 66.22 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -79.55 -48.29 14.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.417 1.087 . . . . 0.0 111.152 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.64 -30.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.346 0.976 . . . . 0.0 113.438 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.15 25.93 7.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.221 1.408 . . . . 0.0 112.835 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.26 63.51 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.634 1.173 . . . . 0.0 114.008 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.6 -7.37 58.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.166 1.387 . . . . 0.0 113.976 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.95 28.7 44.8 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.787 1.184 . . . . 0.0 114.697 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.25 -36.71 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.604 1.161 . . . . 0.0 112.686 -176.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.99 5.56 89.63 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.484 1.516 . . . . 0.0 113.527 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -143.67 159.12 43.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.431 1.892 . . . . 0.0 112.208 -170.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mt -129.91 127.46 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.852 1.661 . . . . 0.0 109.371 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -84.65 153.76 22.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.656 1.583 . . . . 0.0 111.589 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 23.3 t80 -51.15 -53.02 53.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -171.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.49 -28.75 53.58 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.326 2.018 . . . . 0.0 113.216 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -73.14 -37.34 66.65 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.926 0.89 . . . . 0.0 111.838 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -61.76 -44.72 96.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.402 1.081 . . . . 0.0 111.264 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.2 -23.68 67.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -57.76 -38.02 74.67 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.343 0.974 . . . . 0.0 111.539 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.0 mtt -66.06 -31.9 73.05 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.795 -0.566 . . . . 0.0 112.348 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -81.94 -37.8 26.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.894 1.278 . . . . 0.0 112.199 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 125.069 1.348 . . . . 0.0 111.948 175.055 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.86 -33.56 14.89 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.56 1.544 . . . . 0.0 112.164 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.54 -41.73 75.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.689 0.795 . . . . 0.0 111.447 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.36 -26.84 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.495 0.718 . . . . 0.0 111.21 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -57.34 -37.99 73.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.785 1.234 . . . . 0.0 113.901 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.6 -35.7 78.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.845 0.858 . . . . 0.0 112.049 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.32 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.536 0.734 . . . . 0.0 111.839 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.16 -38.86 78.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.843 -0.535 . . . . 0.0 112.027 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -65.03 -32.46 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.88 -23.67 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.303 1.41 . . . . 0.0 113.363 172.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -89.54 -9.47 49.8 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.025 0.93 . . . . 0.0 112.991 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -78.94 130.48 35.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.7 1.6 . . . . 0.0 109.865 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.22 -13.24 60.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.4 -17.08 0.48 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.7 41.69 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.735 1.16 . . . . 0.0 112.474 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.27 -18.51 61.21 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.748 1.619 . . . . 0.0 114.243 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.05 50.17 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 125.241 1.401 . . . . 0.0 113.578 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.02 149.52 46.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.039 1.336 . . . . 0.0 113.805 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -138.52 158.91 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 126.803 2.041 . . . . 0.0 109.787 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 t -70.07 140.95 52.86 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.08 -1.012 . . . . 0.0 112.122 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.14 75.27 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.434 -0.791 . . . . 0.0 112.344 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.73 75.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.428 0.691 . . . . 0.0 111.177 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.45 -44.95 93.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.476 0.71 . . . . 0.0 110.722 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.04 -41.74 88.6 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.972 0.806 . . . . 0.0 111.483 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -64.36 -41.54 96.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.841 0.746 . . . . 0.0 112.056 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -72.98 -46.41 52.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.126 0.97 . . . . 0.0 113.007 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.27 -26.84 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.323 -1.486 . . . . 0.0 111.946 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.5 mmt -74.54 -16.65 60.82 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.4 p -109.2 -24.64 11.03 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.564 1.074 . . . . 0.0 112.649 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -91.21 -42.39 10.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.21 137.34 34.41 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.771 1.228 . . . . 0.0 110.872 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.24 -153.71 51.16 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.682 1.134 . . . . 0.0 113.403 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.36 163.02 19.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.474 0.71 . . . . 0.0 111.288 165.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.95 135.71 33.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.72 -1.238 . . . . 0.0 113.624 -172.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 tp -91.01 132.09 36.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 108.613 160.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -70.48 156.46 39.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.168 0.987 . . . . 0.0 110.42 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.36 -43.66 79.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.581 0.752 . . . . 0.0 111.703 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.25 -23.51 65.7 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.545 1.138 . . . . 0.0 113.354 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -83.72 -56.41 3.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.867 1.267 . . . . 0.0 109.907 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.02 -35.68 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.561 -0.712 . . . . 0.0 112.157 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -67.15 -30.68 70.73 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.418 1.008 . . . . 0.0 111.539 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.83 -36.11 42.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.206 1.002 . . . . 0.0 111.896 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttm -55.33 -44.62 76.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.737 0.815 . . . . 0.0 110.909 168.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.2 mm -70.3 -42.74 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.401 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -54.21 -41.74 68.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.44 1.018 . . . . 0.0 112.837 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.82 -5.46 59.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.34 -45.16 6.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 112.581 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.861 1.664 . . . . 0.0 113.575 -173.863 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 119.935 -0.37 . . . . 0.0 113.76 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -99.07 131.26 45.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.227 1.411 . . . . 0.0 110.186 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.8 124.47 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.292 1.837 . . . . 0.0 108.836 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -78.63 92.71 4.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 163.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -68.38 -26.35 65.53 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.296 -0.878 . . . . 0.0 113.117 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.513 0.725 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.49 -35.21 18.33 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.54 0.736 . . . . 0.0 112.312 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.9 -43.32 98.69 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.284 -0.885 . . . . 0.0 112.516 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -34.08 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.134 0.574 . . . . 0.0 112.351 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.01 -36.38 79.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.597 0.759 . . . . 0.0 110.948 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.4 mtm -69.95 -47.09 63.74 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -79.7 -19.34 49.17 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.485 1.295 0 CA-C-N 119.807 1.185 . . . . 0.0 112.768 170.183 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.3 mp0 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.15 78.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.468 1.107 . . . . 0.0 111.276 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.3 m -81.72 -26.85 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.018 0.927 . . . . 0.0 112.543 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 41.7 m -64.64 -46.16 83.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.013 0.925 . . . . 0.0 112.537 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.98 -39.83 59.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.562 0.745 . . . . 0.0 112.349 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.1 mtm -66.71 -20.07 65.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.388 1.075 . . . . 0.0 113.861 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.0 t -73.24 -35.96 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.69 1.132 . . . . 0.0 111.121 176.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.64 -39.33 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.937 0.895 . . . . 0.0 110.058 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.92 -49.1 76.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.035 0.934 . . . . 0.0 112.006 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -64.25 -33.73 76.48 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.051 0.841 . . . . 0.0 112.942 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.82 70.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.866 0.866 . . . . 0.0 111.442 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.73 -38.95 93.03 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.626 0.771 . . . . 0.0 112.28 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.25 -38.25 81.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.626 0.771 . . . . 0.0 112.894 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -66.33 -36.88 84.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.871 0.869 . . . . 0.0 111.69 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.74 0.816 . . . . 0.0 111.51 170.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 123.826 0.85 . . . . 0.0 113.27 178.51 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -108.17 160.02 16.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.255 1.022 . . . . 0.0 112.55 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.97 -35.02 72.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.802 0.841 . . . . 0.0 112.931 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.08 -21.59 63.13 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -82.45 -45.64 14.5 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.347 -0.846 . . . . 0.0 110.448 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -55.84 -37.68 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.253 1.421 . . . . 0.0 111.636 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -25.35 68.34 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.037 . . . . 0.0 113.612 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.23 -43.29 10.5 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.284 1.034 . . . . 0.0 111.186 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.75 -26.97 68.89 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.16 -37.87 75.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.462 0.705 . . . . 0.0 112.422 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.46 -40.38 81.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.286 0.634 . . . . 0.0 111.448 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.17 74.89 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.982 0.513 . . . . 0.0 112.326 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.53 -39.03 88.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.85 0.86 . . . . 0.0 111.763 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.6 t -65.79 -26.65 67.79 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -23.03 61.44 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.866 -1.146 . . . . 0.0 112.421 178.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.478 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.4 m-85 -94.76 -6.5 42.89 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.415 1.886 . . . . 0.0 113.407 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.98 71.17 9.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.363 1.465 . . . . 0.0 109.96 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.21 -22.21 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.73 -21.61 37.83 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 9.39 86.82 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.802 1.191 . . . . 0.0 114.181 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.2 -10.34 50.12 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.721 1.608 . . . . 0.0 113.478 -174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.84 19.44 31.5 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.139 1.352 . . . . 0.0 113.92 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -131.92 158.65 40.84 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.798 1.639 . . . . 0.0 111.518 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -120.98 161.82 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.639 1.176 . . . . 0.0 110.755 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 p -80.41 155.43 27.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.665 0.786 . . . . 0.0 111.29 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -61.4 -30.03 70.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 0.0 112.326 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.54 -34.02 77.28 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.35 1.06 . . . . 0.0 113.25 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -88.27 -9.95 51.23 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.342 1.057 . . . . 0.0 113.481 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.55 -48.01 72.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.765 0.826 . . . . 0.0 111.239 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -24.9 67.86 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.005 0.812 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -76.03 -42.71 47.02 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.324 1.45 . . . . 0.0 110.959 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.5 t -63.29 -39.61 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.015 0.825 . . . . 0.0 111.055 172.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.1 mmt -58.28 -55.12 39.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.827 0.851 . . . . 0.0 111.725 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -67.08 -28.54 68.27 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -67.51 -25.84 66.05 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.22 7.28 46.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.714 2.005 . . . . 0.0 112.923 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.72 8.0 85.15 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.14 1.352 . . . . 0.0 115.319 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -92.49 123.48 35.83 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.018 1.409 . . . . 0.0 109.278 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.48 81.94 18.57 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.971 0.908 . . . . 0.0 111.307 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.53 160.49 38.36 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.392 2.728 . . . . 0.0 111.496 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -73.3 169.13 17.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.786 0.834 . . . . 0.0 110.381 163.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.57 -36.73 72.08 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.695 -0.628 . . . . 0.0 111.91 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.74 59.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.055 0.942 . . . . 0.0 112.249 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -31.13 69.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.871 0.868 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.63 -49.14 67.23 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.73 -36.54 81.27 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.357 0.663 . . . . 0.0 112.059 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.63 -37.11 82.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.926 1.291 . . . . 0.0 113.315 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.8 mtm -72.58 -43.4 63.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.517 0.599 . . . . 0.0 111.29 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.72 -58.88 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.942 0.897 . . . . 0.0 111.181 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -64.84 -18.21 64.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.918 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.81 -28.57 62.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.63 1.172 . . . . 0.0 112.706 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 m -102.49 -30.45 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.44 1.018 . . . . 0.0 113.542 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -91.21 26.71 2.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.917 1.687 . . . . 0.0 112.191 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.28 -23.28 66.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.839 1.256 . . . . 0.0 113.746 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.54 -9.59 59.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.188 1.395 . . . . 0.0 113.676 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.2 16.85 70.78 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.843 1.211 . . . . 0.0 115.166 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.84 -27.22 65.64 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.844 1.322 . . . . 0.0 114.246 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.89 7.6 87.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.209 1.385 . . . . 0.0 113.461 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -140.17 154.9 47.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.585 1.954 . . . . 0.0 110.824 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.9 mt -121.94 130.24 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.802 1.641 . . . . 0.0 108.696 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -92.99 153.37 18.78 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.268 1.427 . . . . 0.0 110.631 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.72 -49.29 84.06 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.93 -23.59 54.35 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.267 1.978 . . . . 0.0 113.863 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.99 -43.4 44.62 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.75 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -39.26 73.21 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.331 1.052 . . . . 0.0 111.685 168.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.62 -25.56 63.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.09 -1.006 . . . . 0.0 113.58 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.6 m -66.55 -44.34 82.61 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.63 1.105 . . . . 0.0 111.243 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -71.61 -13.1 61.66 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -82.67 -48.02 11.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.325 1.05 . . . . 0.0 110.476 169.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.421 0 C-N-CA 125.439 1.496 . . . . 0.0 113.688 -176.269 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.24 -46.66 73.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.444 0.698 . . . . 0.0 110.635 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.28 -41.12 96.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.024 0.53 . . . . 0.0 111.1 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.41 -42.27 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.417 1.087 . . . . 0.0 111.353 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -74.79 -43.3 55.45 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.939 0.791 . . . . 0.0 112.335 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.99 -20.43 65.88 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.809 -1.182 . . . . 0.0 113.177 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.95 -19.67 65.3 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 171.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -85.13 -27.51 26.17 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.425 1.012 . . . . 0.0 113.3 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -69.31 -26.19 64.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.7 -14.52 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 169.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.03 7.89 30.05 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.814 1.646 . . . . 0.0 112.812 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -154.3 65.95 0.7 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.735 2.014 . . . . 0.0 109.886 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.15 -11.94 61.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -172.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -76.3 -17.63 59.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.272 1.429 . . . . 0.0 112.7 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 22.16 72.19 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.701 1.143 . . . . 0.0 114.421 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.46 -28.17 67.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.862 1.265 . . . . 0.0 114.063 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 4.91 61.32 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.42 1.486 . . . . 0.0 113.938 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -134.03 150.59 51.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.049 1.339 . . . . 0.0 113.288 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 pt -140.92 156.06 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.469 1.908 . . . . 0.0 110.356 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m -74.21 143.61 45.08 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.477 -0.764 . . . . 0.0 112.005 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.12 79.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.622 -0.673 . . . . 0.0 112.35 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.81 76.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.392 1.077 . . . . 0.0 113.009 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.4 -48.1 57.72 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.725 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 tp -58.59 -47.49 84.11 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.718 -0.614 . . . . 0.0 110.882 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.7 ttp-105 -56.58 -39.51 73.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.242 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.54 -45.24 84.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.421 -0.8 . . . . 0.0 112.73 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -54.91 -51.0 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.365 1.438 . . . . 0.0 110.13 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -20.37 65.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.0 p -114.39 -14.39 12.2 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -107.09 -51.68 2.88 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.573 1.079 . . . . 0.0 112.955 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -88.0 143.81 26.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.687 1.195 . . . . 0.0 112.293 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.06 -157.14 46.83 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.321 1.439 . . . . 0.0 113.511 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.52 146.38 50.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.178 0.591 . . . . 0.0 109.952 162.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -91.29 148.34 22.41 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.3 tp -88.24 140.33 29.59 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.92 1.288 . . . . 0.0 109.275 166.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -70.45 155.89 40.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.247 1.019 . . . . 0.0 110.792 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.55 -40.44 68.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.746 1.218 . . . . 0.0 113.074 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.21 -39.45 68.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.752 0.821 . . . . 0.0 112.075 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -66.85 -46.47 74.96 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.063 1.345 . . . . 0.0 110.917 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.16 -32.79 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.371 0.987 . . . . 0.0 112.086 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.28 -43.85 89.85 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 171.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.85 -38.79 92.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.914 0.886 . . . . 0.0 111.662 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttm -58.68 -52.52 65.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.641 0.776 . . . . 0.0 111.081 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.0 mm -65.42 -40.09 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -54.48 -44.09 72.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.141 0.976 . . . . 0.0 112.057 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.84 -24.12 41.52 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.44 -43.15 9.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.791 1.236 . . . . 0.0 113.655 -172.563 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.35 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -122.33 143.66 49.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.991 1.716 . . . . 0.0 111.1 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.37 126.68 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.52 1.928 . . . . 0.0 108.489 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.02 100.72 9.89 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 160.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -71.53 -26.27 62.58 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.08 -54.9 41.82 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 111.619 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.65 -23.38 59.85 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.763 -0.586 . . . . 0.0 112.347 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.17 -38.43 91.16 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.148 -0.97 . . . . 0.0 111.838 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.87 -40.84 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.906 0.775 . . . . 0.0 111.723 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.9 -32.46 73.98 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.617 0.644 . . . . 0.0 111.701 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.4 mtm -70.71 -39.66 73.31 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.352 -0.843 . . . . 0.0 112.35 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.34 -35.44 79.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.477 0.891 0 CA-C-N 119.012 0.824 . . . . 0.0 112.341 175.23 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 55.1 mp0 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.808 0.843 . . . . 0.0 112.446 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.4 m -86.61 -32.49 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.9 m -62.82 -38.81 92.22 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.387 -0.821 . . . . 0.0 112.181 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.33 14.24 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.439 1.495 . . . . 0.0 114.093 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.6 mtm -85.67 -24.53 27.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.771 1.228 . . . . 0.0 113.525 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 40.3 t -76.0 -30.88 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.106 0.866 . . . . 0.0 111.295 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.84 -42.05 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.883 0.873 . . . . 0.0 110.372 170.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -70.16 -34.24 72.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.069 0.948 . . . . 0.0 111.592 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -61.17 -20.98 63.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.689 1.596 . . . . 0.0 113.421 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.39 8.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.668 1.587 . . . . 0.0 112.468 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -65.59 -45.24 83.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -65.32 -34.87 79.35 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.998 -0.438 . . . . 0.0 111.755 175.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -67.59 -40.71 84.77 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.633 1.573 . . . . 0.0 112.104 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.03 -48.77 80.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.038 1.335 . . . . 0.0 112.298 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.47 0.555 0 C-N-CA 123.538 0.735 . . . . 0.0 112.04 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -89.7 156.91 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 111.793 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -57.75 -36.88 72.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.001 0.921 . . . . 0.0 112.384 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.7 -21.86 62.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.065 0.946 . . . . 0.0 113.449 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -82.28 -44.77 15.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.963 0.802 . . . . 0.0 110.328 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.25 -38.2 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.32 1.048 . . . . 0.0 111.775 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.78 67.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.201 1.0 . . . . 0.0 113.196 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.19 -44.69 11.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.805 0.842 . . . . 0.0 111.39 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -66.97 -27.17 67.24 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.629 -0.67 . . . . 0.0 112.523 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.87 -41.13 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.127 0.971 . . . . 0.0 112.815 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.64 -40.87 84.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.594 0.758 . . . . 0.0 111.704 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.78 82.28 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.767 -0.583 . . . . 0.0 112.557 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.01 -36.32 82.96 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.781 0.832 . . . . 0.0 111.799 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 t -61.23 -32.25 72.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -19.45 60.5 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.022 -1.049 . . . . 0.0 113.387 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.54 -13.57 21.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.455 1.502 . . . . 0.0 112.993 173.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.96 62.19 1.59 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.172 1.789 . . . . 0.0 110.435 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.59 -16.3 61.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.458 1.503 . . . . 0.0 113.28 -171.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.67 -20.92 35.26 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.644 1.578 . . . . 0.0 113.311 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 8.72 86.97 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.658 1.599 . . . . 0.0 114.463 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.04 -11.28 39.26 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.474 1.509 . . . . 0.0 113.67 -172.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 23.44 16.54 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.17 1.366 . . . . 0.0 113.877 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -135.07 144.16 47.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.909 1.684 . . . . 0.0 111.706 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -105.84 160.99 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.34 1.056 . . . . 0.0 109.724 165.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -78.02 154.43 31.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.158 0.435 . . . . 0.0 110.398 163.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -58.09 -30.63 66.39 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.367 1.067 . . . . 0.0 112.488 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.68 -32.5 74.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.813 1.245 . . . . 0.0 113.199 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.43 -8.9 58.15 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.826 0.85 . . . . 0.0 112.76 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.7 -48.35 81.17 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.52 -1.362 . . . . 0.0 112.022 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.21 63.3 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 118.941 -0.922 . . . . 0.0 112.691 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -81.55 -43.28 18.95 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.969 1.708 . . . . 0.0 111.481 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.54 -33.54 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.385 1.448 . . . . 0.0 111.876 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.2 mtp -68.83 -31.43 70.4 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.68 -0.637 . . . . 0.0 112.406 173.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -74.22 -34.76 63.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.247 -0.908 . . . . 0.0 112.501 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -66.06 -28.75 69.08 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.352 -0.842 . . . . 0.0 112.724 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.78 0.41 54.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.611 1.564 . . . . 0.0 112.995 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.34 12.09 82.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.392 1.472 . . . . 0.0 115.51 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.31 -37.88 31.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.799 1.299 . . . . 0.0 111.85 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 55.67 56.49 10.19 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 126.273 1.829 . . . . 0.0 112.614 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.34 141.12 46.02 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.8 2.333 . . . . 0.0 111.309 -169.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -63.55 146.6 53.37 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.547 1.139 . . . . 0.0 109.947 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.74 -41.12 90.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.715 0.806 . . . . 0.0 112.8 -170.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.94 84.76 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -69.25 -44.96 70.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.191 0.997 . . . . 0.0 110.753 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.04 -51.79 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.333 1.453 . . . . 0.0 111.367 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.19 -37.42 87.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.005 0.366 . . . . 0.0 111.974 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.51 -31.35 72.02 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.931 -1.106 . . . . 0.0 112.984 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.63 -37.9 70.82 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.335 0.654 . . . . 0.0 111.133 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.61 -45.96 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 109.809 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.48 -29.32 64.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.28 -51.43 37.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.709 0.804 . . . . 0.0 111.054 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.7 -24.09 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -103.02 23.36 12.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.859 1.664 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.0 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -89.31 -4.92 57.93 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.636 1.575 . . . . 0.0 113.875 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.97 25.71 59.49 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.595 1.093 . . . . 0.0 114.496 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -62.2 -34.7 76.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.616 1.166 . . . . 0.0 113.838 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.83 89.32 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 126.149 1.833 . . . . 0.0 113.659 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.0 p -138.25 159.5 41.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.919 1.688 . . . . 0.0 112.48 -170.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.68 127.75 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.505 1.922 . . . . 0.0 107.587 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.02 163.02 17.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.032 0.933 . . . . 0.0 112.428 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -57.21 -51.63 80.2 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-O 116.673 -1.632 . . . . 0.0 114.547 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 -30.72 46.82 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 122.135 1.798 . . . . 0.0 113.486 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.47 -40.44 85.3 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.484 1.493 . . . . 0.0 112.087 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -60.1 -45.69 92.12 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.5 0.72 . . . . 0.0 111.754 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.2 -31.67 72.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.646 0.778 . . . . 0.0 112.86 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -70.91 -31.16 67.7 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -67.52 -49.23 64.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.267 0.939 . . . . 0.0 111.125 166.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mmm -59.67 -40.91 89.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.499 1.12 . . . . 0.0 113.186 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 125.652 1.581 . . . . 0.0 113.714 178.389 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.28 -33.26 69.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.458 0.703 . . . . 0.0 112.711 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -71.15 -38.93 72.2 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.598 -0.689 . . . . 0.0 110.532 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.98 -45.07 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.98 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -61.91 -43.94 97.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.616 . . . . 0.0 112.593 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.48 -32.59 74.29 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.26 0.624 . . . . 0.0 112.529 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.51 87.57 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.12 -0.987 . . . . 0.0 111.979 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -69.19 -35.92 76.76 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -69.8 -32.76 71.4 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.394 0.677 . . . . 0.0 112.738 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.91 -31.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.072 -1.018 . . . . 0.0 111.283 168.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.12 9.93 31.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.832 1.253 . . . . 0.0 114.094 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -143.32 66.87 1.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.07 1.748 . . . . 0.0 110.403 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -63.98 -14.09 51.3 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.66 -17.16 52.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.34 1.456 . . . . 0.0 113.162 173.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.32 23.19 76.32 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.423 1.011 . . . . 0.0 113.858 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -68.46 -26.22 65.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.735 1.214 . . . . 0.0 114.128 -175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.18 69.83 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.48 1.514 . . . . 0.0 113.797 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.29 151.61 45.23 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.78 1.632 . . . . 0.0 112.036 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.64 160.58 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.407 1.883 . . . . 0.0 109.601 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -74.01 146.46 43.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.594 -1.316 . . . . 0.0 111.695 173.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.17 84.34 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.978 -1.076 . . . . 0.0 112.238 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.16 73.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.6 0.76 . . . . 0.0 111.619 173.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.51 -46.97 85.99 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.611 1.164 . . . . 0.0 111.154 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.78 96.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.953 0.901 . . . . 0.0 111.03 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -59.15 -42.68 91.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.328 0.513 . . . . 0.0 111.679 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -69.93 -46.34 65.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.956 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -22.34 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.849 -1.157 . . . . 0.0 112.116 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.77 -18.45 54.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.908 2.083 . . . . 0.0 114.559 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.5 p -116.74 13.95 15.22 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.961 1.304 . . . . 0.0 114.232 -172.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -4.12 0.76 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.01 145.12 51.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.395 1.478 . . . . 0.0 111.144 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.38 -79.99 1.03 Allowed Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.5 1.048 . . . . 0.0 111.542 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.59 149.38 27.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.922 2.089 . . . . 0.0 108.257 164.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -74.47 116.13 14.8 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.34 -0.85 . . . . 0.0 111.223 -174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.81 139.51 56.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.803 1.241 . . . . 0.0 110.313 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.5 150.66 48.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.479 1.112 . . . . 0.0 110.734 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.59 -39.18 90.28 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.14 -28.77 67.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.904 0.882 . . . . 0.0 112.831 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.81 -53.34 8.04 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.817 0.847 . . . . 0.0 109.631 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.61 -32.83 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.617 -0.677 . . . . 0.0 112.243 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.86 -36.92 85.52 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.06 -1.025 . . . . 0.0 111.728 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.34 -35.44 63.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.754 0.422 . . . . 0.0 111.638 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.5 ttm -57.52 -39.61 76.94 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 111.688 171.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mm -71.37 -44.65 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.186 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -57.05 -42.79 81.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.884 1.22 . . . . 0.0 111.908 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -74.98 -8.77 57.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.17 -43.3 7.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 112.186 171.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 114.21 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.132 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -88.43 133.57 34.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.943 1.297 . . . . 0.0 109.146 160.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.6 t -92.61 125.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 127.266 2.226 . . . . 0.0 108.721 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -77.97 87.91 4.14 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -67.57 -27.28 66.8 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.252 -0.905 . . . . 0.0 113.104 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.59 -44.75 95.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.303 0.641 . . . . 0.0 111.277 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -69.77 -38.52 76.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.395 0.678 . . . . 0.0 111.565 171.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -62.04 -34.75 76.81 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.41 -50.06 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.11 0.868 . . . . 0.0 110.742 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -72.67 -26.95 61.81 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.608 0.763 . . . . 0.0 112.517 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -75.63 -35.23 60.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.668 0.667 . . . . 0.0 112.421 171.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.0 ttp -78.33 -31.92 48.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.591 1.156 . . . . 0.0 113.482 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.781 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.43 -45.59 75.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.569 0.748 . . . . 0.0 111.533 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.9 m -72.19 -30.95 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.907 0.776 . . . . 0.0 112.258 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.6 m -63.2 -44.14 96.17 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.146 -0.971 . . . . 0.0 111.804 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.22 70.81 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.5 mtm -75.86 -47.09 26.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.683 0.793 . . . . 0.0 112.352 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.2 t -62.6 -37.83 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.253 1.021 . . . . 0.0 111.887 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.53 -49.79 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.611 0.641 . . . . 0.0 111.638 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -75.7 -25.81 56.99 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -56.83 -49.75 74.48 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.136 0.975 . . . . 0.0 110.727 169.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.45 94.64 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.799 0.84 . . . . 0.0 112.249 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.36 -41.22 94.05 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.775 0.43 . . . . 0.0 112.026 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.95 -34.25 73.18 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.409 -0.807 . . . . 0.0 112.639 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -60.56 -47.27 86.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.615 1.166 . . . . 0.0 110.616 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.4 -47.96 83.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.407 1.083 . . . . 0.0 112.73 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 124.045 0.938 . . . . 0.0 112.497 175.547 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -91.62 162.63 14.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.27 -36.52 82.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.53 0.732 . . . . 0.0 112.35 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.89 -26.61 60.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.49 -48.83 53.84 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 118.591 0.632 . . . . 0.0 110.591 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.13 -41.8 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.276 1.03 . . . . 0.0 111.284 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -26.99 68.66 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.48 -45.52 14.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 110.575 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -65.96 -28.07 68.63 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.523 0.729 . . . . 0.0 112.344 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -54.29 -38.61 66.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 112.504 170.751 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.67 -27.15 37.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.537 1.135 . . . . 0.0 112.263 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.07 -35.4 59.42 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.408 -0.807 . . . . 0.0 111.923 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -71.89 -38.02 70.05 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.486 1.114 . . . . 0.0 112.675 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -67.76 -26.34 66.07 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.35 -22.13 61.94 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.404 -0.81 . . . . 0.0 113.103 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -96.81 -12.57 23.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.614 1.565 . . . . 0.0 113.109 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.07 58.55 2.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.783 1.633 . . . . 0.0 110.424 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -71.9 -21.51 61.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.666 1.186 . . . . 0.0 113.032 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.33 -19.29 39.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.063 1.345 . . . . 0.0 113.102 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.68 7.3 87.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.852 1.215 . . . . 0.0 115.186 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.91 -13.2 56.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.134 1.374 . . . . 0.0 113.967 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 18.54 32.06 Favored Glycine 0 N--CA 1.473 1.123 0 C-N-CA 125.063 1.316 . . . . 0.0 113.856 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -127.66 155.73 43.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.465 1.906 . . . . 0.0 111.458 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 pt -113.55 160.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 109.675 162.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -78.46 159.6 28.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.303 0.573 . . . . 0.0 111.481 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 p -61.66 -29.92 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.071 0.949 . . . . 0.0 112.474 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -73.15 -32.95 65.21 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.21 -13.72 59.52 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.0 0.92 . . . . 0.0 113.433 175.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.3 -48.37 74.2 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.243 0.929 . . . . 0.0 110.679 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.7 -25.27 71.62 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 121.588 -0.695 . . . . 0.0 113.31 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -79.02 -43.05 25.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.79 1.236 . . . . 0.0 111.437 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.05 -30.94 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.316 0.962 . . . . 0.0 112.111 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -60.92 -49.35 77.8 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.361 0.982 . . . . 0.0 111.52 169.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.59 -35.06 79.25 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.981 0.913 . . . . 0.0 112.69 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.3 m -68.37 -27.54 66.33 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.07 -1.019 . . . . 0.0 113.467 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.6 4.8 48.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.419 1.488 . . . . 0.0 112.881 170.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.4 8.63 80.71 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.489 1.518 . . . . 0.0 115.243 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.51 141.46 28.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.113 1.457 . . . . 0.0 111.346 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -133.54 64.56 68.89 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.207 1.403 . . . . 0.0 113.107 -172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -67.05 161.63 41.8 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.512 2.808 . . . . 0.0 111.3 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.7 p -69.21 165.78 19.74 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.776 0.431 . . . . 0.0 110.892 168.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.33 -36.8 73.94 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.86 -44.83 69.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.008 0.923 . . . . 0.0 112.452 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -65.45 -40.02 92.72 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.69 0.677 . . . . 0.0 111.49 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.03 -49.54 74.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.161 0.984 . . . . 0.0 110.907 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -42.31 91.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.926 0.891 . . . . 0.0 111.59 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.96 -35.51 80.14 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.293 -0.88 . . . . 0.0 113.226 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.04 -36.63 83.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.301 0.955 . . . . 0.0 111.379 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.3 mt -64.56 -49.6 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.796 0.839 . . . . 0.0 109.893 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -57.23 -29.93 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -75.28 -12.14 60.21 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.02 -24.65 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -126.81 54.71 1.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.684 1.594 . . . . 0.0 110.222 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.92 68.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.213 1.405 . . . . 0.0 113.603 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.46 -10.6 58.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.478 1.511 . . . . 0.0 113.675 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.55 40.79 26.5 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.586 1.088 . . . . 0.0 114.321 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -68.41 -25.33 64.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.293 1.047 . . . . 0.0 113.262 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.67 5.2 75.01 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 125.385 1.469 . . . . 0.0 114.19 -177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.0 p -141.24 151.54 43.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.074 1.75 . . . . 0.0 111.859 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.53 128.65 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.443 1.897 . . . . 0.0 108.462 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.87 158.67 18.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 0.0 110.531 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.91 -47.46 86.5 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -172.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.46 -26.8 23.91 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.828 2.046 . . . . 0.0 113.12 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.78 -43.69 71.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.676 1.125 . . . . 0.0 111.028 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -59.21 -38.17 79.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.972 0.909 . . . . 0.0 111.874 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.59 -26.24 61.62 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.064 -1.022 . . . . 0.0 113.473 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -64.21 -48.72 74.77 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.545 1.066 . . . . 0.0 110.608 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -65.88 -19.59 65.93 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.63 -41.31 21.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.327 1.051 . . . . 0.0 112.407 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.192 0.997 . . . . 0.0 112.344 177.784 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.46 -27.68 68.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 112.239 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.97 -39.04 79.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.321 1.049 . . . . 0.0 111.377 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -77.62 -37.73 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.79 1.236 . . . . 0.0 110.367 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -61.75 -39.7 92.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -63.86 -34.36 77.76 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.005 0.821 . . . . 0.0 111.999 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.0 92.93 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.521 -0.737 . . . . 0.0 112.176 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -69.68 -36.4 75.97 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.546 -0.721 . . . . 0.0 112.709 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -63.14 -35.07 79.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.003 0.921 . . . . 0.0 111.889 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.7 -39.0 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.0 1.32 . . . . 0.0 111.797 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -80.91 -21.55 40.46 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -71.99 113.37 8.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.189 0.904 . . . . 0.0 110.13 168.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -83.68 -9.12 59.08 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.19 -25.05 5.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.765 1.226 . . . . 0.0 113.407 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.97 19.47 57.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.141 1.353 . . . . 0.0 113.221 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.15 -18.91 61.85 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.209 1.404 . . . . 0.0 113.811 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.06 13.91 56.96 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.658 1.599 . . . . 0.0 113.413 -174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -140.68 152.8 45.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.594 1.558 . . . . 0.0 112.613 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -124.18 164.82 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.748 1.619 . . . . 0.0 109.211 164.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -85.03 153.63 22.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.352 -1.467 . . . . 0.0 111.48 169.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.42 70.55 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.014 -1.054 . . . . 0.0 112.148 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.85 77.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.194 0.998 . . . . 0.0 112.398 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.73 -50.31 74.35 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.604 0.762 . . . . 0.0 110.183 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.35 -43.54 83.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.105 0.962 . . . . 0.0 111.85 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -29.1 69.78 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.581 1.153 . . . . 0.0 113.232 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -88.32 -51.96 5.46 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.112 -0.993 . . . . 0.0 112.771 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.68 -21.01 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.077 1.351 . . . . 0.0 113.572 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.5 mmt -90.3 -18.54 25.41 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.7 p -106.77 -20.6 13.29 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.592 1.087 . . . . 0.0 113.739 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.87 -9.53 24.12 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 mt -124.87 159.7 30.49 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.106 1.763 . . . . 0.0 112.307 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.51 -139.44 31.92 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.847 1.213 . . . . 0.0 113.741 167.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -89.68 71.39 7.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.296 1.438 . . . . 0.0 107.772 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -35.27 125.2 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.821 2.449 . . . . 0.0 114.862 -162.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.71 133.46 48.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.154 1.382 . . . . 0.0 110.673 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -76.14 157.97 32.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.982 1.313 . . . . 0.0 110.701 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.76 -44.63 63.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.87 1.268 . . . . 0.0 113.13 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 -27.01 63.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.064 0.946 . . . . 0.0 112.94 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -80.62 -46.96 14.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.342 1.057 . . . . 0.0 110.714 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.83 -33.84 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.443 1.02 . . . . 0.0 112.082 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.97 -41.69 97.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.237 0.615 . . . . 0.0 111.748 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.84 -40.16 63.5 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.344 0.658 . . . . 0.0 111.671 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.7 ttm -52.63 -47.32 67.13 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.074 0.95 . . . . 0.0 111.499 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.6 mt -80.01 -34.29 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.776 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -56.18 -37.46 69.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.923 1.238 . . . . 0.0 111.188 170.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.64 -8.42 59.71 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.16 -46.61 4.79 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.107 1.321 . . . . 0.0 113.11 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.548 0.882 0 C-N-CA 125.525 1.53 . . . . 0.0 114.031 -172.217 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.13 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -86.44 140.4 30.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.356 1.062 . . . . 0.0 109.029 160.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.32 121.03 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.178 1.791 . . . . 0.0 108.866 -176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -81.26 77.39 8.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.887 1.275 . . . . 0.0 110.446 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -53.5 -26.46 20.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.077 1.351 . . . . 0.0 114.603 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.54 -40.52 79.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.966 0.906 . . . . 0.0 112.045 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -73.55 -36.7 65.67 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.989 0.915 . . . . 0.0 111.189 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.21 -39.54 94.91 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.498 -0.751 . . . . 0.0 112.433 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.23 -40.2 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.531 0.605 . . . . 0.0 111.546 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.66 -46.16 86.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.509 0.595 . . . . 0.0 110.548 175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -64.84 -24.7 67.62 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mtm -72.92 -36.63 67.29 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.316 0.962 . . . . 0.0 113.26 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -166.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.38 -44.58 58.28 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.158 -0.964 . . . . 0.0 111.953 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -32.14 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.144 0.884 . . . . 0.0 111.193 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 73.3 m -61.31 -44.1 97.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.949 0.795 . . . . 0.0 111.749 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.85 84.12 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.559 -0.713 . . . . 0.0 111.011 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.2 mtm -60.81 -38.65 86.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.68 -46.82 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.273 0.942 . . . . 0.0 110.857 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.32 -38.48 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 0.0 111.618 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -59.21 -48.1 82.89 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.065 0.946 . . . . 0.0 110.96 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.82 -37.69 82.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.234 0.614 . . . . 0.0 112.565 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.06 84.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.857 0.863 . . . . 0.0 111.616 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.59 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.469 0.708 . . . . 0.0 111.899 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -66.77 -38.16 86.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.986 -1.071 . . . . 0.0 112.817 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -63.78 -36.37 83.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.346 0.976 . . . . 0.0 112.203 170.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 66.7 t60 -65.3 -44.37 88.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.663 0.785 . . . . 0.0 112.755 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.473 0.714 0 O-C-N 121.122 -0.986 . . . . 0.0 112.905 -177.114 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.7 mt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 p -103.55 163.01 12.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.197 1.799 . . . . 0.0 110.497 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.16 -35.0 74.35 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.06 -27.12 62.48 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.11 -42.71 31.12 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.697 0.681 . . . . 0.0 110.514 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.49 -43.26 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.091 0.957 . . . . 0.0 111.329 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.38 71.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.867 0.867 . . . . 0.0 113.252 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -76.42 -41.55 47.24 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.348 1.059 . . . . 0.0 111.258 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.53 -30.36 69.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.223 0.609 . . . . 0.0 112.5 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -59.19 -39.47 82.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.608 1.163 . . . . 0.0 112.514 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.26 -41.16 99.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.649 0.78 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.06 59.75 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.04 -39.4 94.61 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.145 0.978 . . . . 0.0 111.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -68.1 -17.22 64.31 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -30.14 56.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.626 1.103 . . . . 0.0 112.164 174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.69 -21.11 25.42 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 0.0 112.753 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -73.93 71.98 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 110.872 168.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -63.89 -25.92 68.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.844 1.658 . . . . 0.0 114.192 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.78 -15.97 31.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.754 1.622 . . . . 0.0 113.331 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 23.55 76.73 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.251 0.929 . . . . 0.0 113.386 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.95 -4.86 29.24 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.483 1.513 . . . . 0.0 113.701 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.82 13.38 56.73 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 124.9 1.238 . . . . 0.0 114.804 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 151.38 50.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.167 1.387 . . . . 0.0 112.974 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.65 166.19 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.746 1.618 . . . . 0.0 109.976 165.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 p -75.92 163.26 27.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.978 0.808 . . . . 0.0 112.313 168.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -60.83 -35.49 76.66 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.098 0.959 . . . . 0.0 111.724 167.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -61.25 -42.03 97.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.768 1.227 . . . . 0.0 112.963 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.86 -15.65 61.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.491 1.116 . . . . 0.0 113.439 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.31 -50.05 72.54 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.934 0.894 . . . . 0.0 110.572 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -17.94 68.43 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 118.843 -0.976 . . . . 0.0 113.872 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 m -86.03 -44.48 12.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.299 1.44 . . . . 0.0 110.954 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.13 -30.18 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 119.982 1.265 . . . . 0.0 112.741 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.9 mmt -57.97 -45.48 86.65 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.195 0.907 . . . . 0.0 111.187 167.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -74.71 -28.47 60.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.384 1.074 . . . . 0.0 113.215 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -31.19 72.02 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.007 0.923 . . . . 0.0 111.801 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.2 -1.36 57.37 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.798 1.639 . . . . 0.0 113.576 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.21 6.1 63.28 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 118.2 -1.334 . . . . 0.0 115.87 169.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -107.67 136.41 47.47 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.992 1.896 . . . . 0.0 111.239 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.92 85.91 12.59 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.182 1.393 . . . . 0.0 110.697 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.59 146.48 55.13 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.149 2.566 . . . . 0.0 110.493 174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -68.22 162.14 25.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.849 0.859 . . . . 0.0 110.575 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -54.4 -39.03 66.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.238 0.615 . . . . 0.0 112.271 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.62 -47.27 67.11 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.58 -31.86 70.28 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.603 0.638 . . . . 0.0 111.852 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.99 -48.52 65.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 111.191 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.11 -37.25 86.45 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.159 0.584 . . . . 0.0 111.375 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.39 -32.15 72.07 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.654 1.182 . . . . 0.0 113.16 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.5 mtm -77.9 -46.45 21.3 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.015 0.825 . . . . 0.0 111.654 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.03 -55.22 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.401 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -64.9 -20.42 66.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.153 0.888 . . . . 0.0 113.288 -171.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -76.46 -27.6 56.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.62 1.168 . . . . 0.0 113.167 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.91 -27.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.348 0.976 . . . . 0.0 113.3 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -90.2 26.21 1.96 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.308 1.443 . . . . 0.0 112.026 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.04 65.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.513 1.125 . . . . 0.0 113.768 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.09 -12.23 58.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.65 1.58 . . . . 0.0 113.635 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.35 14.01 77.41 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.282 1.42 . . . . 0.0 115.764 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -70.9 -22.94 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.56 9.24 83.6 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.204 1.383 . . . . 0.0 113.44 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 p -138.0 157.62 46.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.092 1.757 . . . . 0.0 111.915 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.3 mt -129.82 129.99 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.06 1.744 . . . . 0.0 108.179 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.78 156.21 17.16 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.45 1.1 . . . . 0.0 110.118 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.65 -47.31 79.02 Favored Pre-proline 0 CA--C 1.549 0.937 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -23.18 24.57 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.59 1.961 . . . . 0.0 113.2 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.09 -41.73 66.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.225 0.921 . . . . 0.0 110.76 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -62.82 -39.21 93.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 0.0 112.29 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -68.78 -31.41 70.4 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.971 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -63.38 -45.51 90.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.995 1.27 . . . . 0.0 111.617 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.3 -32.23 73.77 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.595 0.634 . . . . 0.0 112.411 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.6 mmm -71.74 -43.7 65.37 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.475 -0.766 . . . . 0.0 112.082 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 112.584 177.726 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.24 -30.28 70.14 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -68.62 -41.33 79.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.118 0.567 . . . . 0.0 110.186 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.28 -45.4 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.822 1.249 . . . . 0.0 110.084 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -61.12 -47.14 87.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.233 1.013 . . . . 0.0 112.434 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.22 -28.27 66.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.73 99.35 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.954 0.797 . . . . 0.0 111.058 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.92 -39.96 91.01 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.062 -0.399 . . . . 0.0 111.867 171.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -68.82 -24.96 64.45 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 t -61.02 -32.29 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.118 0.872 . . . . 0.0 112.313 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -91.27 -19.74 22.65 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -61.94 142.32 57.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.253 1.421 . . . . 0.0 111.598 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -80.77 -17.35 51.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.455 1.102 . . . . 0.0 113.64 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -151.93 -10.2 0.2 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -172.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.89 22.76 48.34 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.14 1.352 . . . . 0.0 112.424 -166.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -16.83 61.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.113 1.365 . . . . 0.0 114.643 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.2 6.08 57.89 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.419 1.485 . . . . 0.0 114.97 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -134.45 146.33 49.7 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.37 165.15 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 127.379 2.271 . . . . 0.0 109.935 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -75.93 150.07 37.59 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.294 -1.503 . . . . 0.0 112.625 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.21 76.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.087 -1.008 . . . . 0.0 112.747 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.73 71.71 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.596 0.759 . . . . 0.0 111.167 173.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.02 -47.07 88.16 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.129 1.372 . . . . 0.0 111.477 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.49 -29.73 70.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.717 0.689 . . . . 0.0 112.746 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -68.48 -49.58 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.433 1.015 . . . . 0.0 110.488 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -65.99 -44.03 86.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.981 0.912 . . . . 0.0 112.876 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.66 -20.05 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.24 1.016 . . . . 0.0 112.6 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.7 mmt -92.98 -25.08 18.15 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.096 1.759 . . . . 0.0 114.237 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.6 p -102.24 -6.51 23.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.879 1.272 . . . . 0.0 113.348 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -111.87 -61.02 1.77 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.456 1.102 . . . . 0.0 112.412 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.22 146.96 29.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.719 1.208 . . . . 0.0 112.039 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.82 44.37 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.948 0.785 . . . . 0.0 112.449 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -74.37 169.12 18.31 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 122.534 -0.392 . . . . 0.0 110.759 163.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -127.05 119.94 27.8 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.59 -0.693 . . . . 0.0 111.559 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -81.78 172.21 13.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.895 0.878 . . . . 0.0 112.092 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.36 150.09 46.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.862 1.665 . . . . 0.0 113.146 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.92 -27.59 67.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 113.195 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.17 -35.19 59.27 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.679 -0.638 . . . . 0.0 111.855 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -45.86 43.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.156 0.982 . . . . 0.0 110.742 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.19 -30.42 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.903 1.229 . . . . 0.0 111.767 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.34 -44.52 83.07 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.021 -1.049 . . . . 0.0 111.931 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.98 -41.0 95.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.246 0.618 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.6 ttm -55.77 -41.88 74.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.272 1.029 . . . . 0.0 111.639 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.55 -43.75 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.584 0.754 . . . . 0.0 112.056 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.464 1.029 . . . . 0.0 113.186 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.58 -12.19 60.0 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.35 -35.98 7.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.9 1.28 . . . . 0.0 112.921 172.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.826 2.051 . . . . 0.0 114.199 -177.062 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 N-CA-C 114.351 0.5 . . . . 0.0 114.351 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -99.06 143.39 29.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.13 1.372 . . . . 0.0 109.95 167.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.12 122.81 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 126.435 1.894 . . . . 0.0 108.249 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.16 94.68 4.12 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 162.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -73.2 -21.89 60.57 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.0 -41.57 98.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.286 0.634 . . . . 0.0 111.651 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.01 -26.58 39.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.663 0.785 . . . . 0.0 112.752 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.53 -27.32 68.88 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.833 -1.167 . . . . 0.0 113.12 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.7 -38.92 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.678 1.191 . . . . 0.0 112.081 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -66.3 -33.0 74.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.44 0.696 . . . . 0.0 111.644 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 mtt -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.697 0.799 . . . . 0.0 112.155 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.5 mtm -82.76 -26.1 32.19 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-N 119.613 1.097 . . . . 0.0 111.609 174.373 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 48.0 mp0 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.71 -44.51 73.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.171 0.588 . . . . 0.0 111.72 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.7 m -73.08 -28.55 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.718 0.69 . . . . 0.0 112.176 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -66.17 -44.27 84.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.461 1.028 . . . . 0.0 111.332 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.63 -27.16 66.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.533 1.133 . . . . 0.0 112.958 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 59.8 mtt -66.61 -42.27 87.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.595 0.758 . . . . 0.0 112.577 172.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 88.5 t -67.26 -37.67 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.095 0.862 . . . . 0.0 111.376 -169.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.11 -48.68 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.161 0.584 . . . . 0.0 110.857 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -74.96 -24.33 58.44 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -67.75 -44.12 78.28 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.601 1.091 . . . . 0.0 111.248 169.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.08 95.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.468 0.707 . . . . 0.0 111.954 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.7 -45.96 84.37 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -67.88 -36.64 80.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.251 0.932 . . . . 0.0 112.183 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.59 -34.16 77.58 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.809 1.243 . . . . 0.0 111.871 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.14 -47.15 65.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.565 1.146 . . . . 0.0 112.446 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 125.425 1.49 . . . . 0.0 112.292 177.832 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p -112.25 162.09 15.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.424 1.889 . . . . 0.0 111.35 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.52 -32.78 73.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.523 0.729 . . . . 0.0 112.65 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.93 -25.8 60.17 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.21 -45.41 56.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.173 0.897 . . . . 0.0 110.702 167.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -56.94 -38.45 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.402 0.681 . . . . 0.0 111.554 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -28.61 69.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.83 -39.91 15.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.2 1.0 . . . . 0.0 111.724 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -65.85 -29.11 69.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.491 0.716 . . . . 0.0 111.924 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.17 -43.58 95.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -65.9 -37.93 87.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.745 0.818 . . . . 0.0 112.025 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.26 67.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.383 0.673 . . . . 0.0 112.491 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.23 -40.98 98.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.329 1.051 . . . . 0.0 112.25 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 m -67.93 -15.68 63.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -30.07 63.7 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.045 1.293 . . . . 0.0 111.359 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -86.85 -21.75 26.2 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.295 1.438 . . . . 0.0 112.634 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -75.62 85.03 2.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.732 1.213 . . . . 0.0 110.749 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.78 -27.29 62.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.46 -15.91 29.95 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.66 1.184 . . . . 0.0 113.544 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.4 74.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.982 1.277 . . . . 0.0 113.862 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.73 -6.96 53.75 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.316 1.446 . . . . 0.0 114.002 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.06 53.04 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.324 1.44 . . . . 0.0 115.044 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.3 p -129.77 154.05 47.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.38 1.472 . . . . 0.0 112.467 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -117.83 160.25 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.375 1.47 . . . . 0.0 110.527 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 m -75.4 151.39 38.16 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.643 -0.661 . . . . 0.0 109.293 169.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 p -58.73 -30.87 67.81 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.579 1.152 . . . . 0.0 112.526 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.24 -27.27 68.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.176 1.79 . . . . 0.0 113.465 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.72 -7.97 55.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.919 1.288 . . . . 0.0 112.516 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.22 -49.3 78.38 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.058 0.943 . . . . 0.0 111.341 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.09 -25.44 68.1 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 121.666 -0.646 . . . . 0.0 113.341 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -76.72 -49.31 16.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.684 1.194 . . . . 0.0 110.919 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.14 -31.43 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.921 0.782 . . . . 0.0 112.382 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 mmt -56.37 -52.23 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.73 0.812 . . . . 0.0 111.316 166.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -62.19 -40.83 97.37 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.131 1.373 . . . . 0.0 112.548 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -66.58 -26.41 67.09 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.116 -0.99 . . . . 0.0 113.526 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.05 11.59 22.54 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.437 1.495 . . . . 0.0 113.173 171.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.79 12.36 78.36 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 124.38 0.99 . . . . 0.0 114.795 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -77.62 146.61 36.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.083 0.942 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -124.51 55.29 9.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.35 147.71 42.17 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.201 2.601 . . . . 0.0 111.224 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -73.39 162.26 29.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.465 1.106 . . . . 0.0 110.334 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -53.82 -40.49 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.19 1.396 . . . . 0.0 112.738 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.42 80.14 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.924 0.89 . . . . 0.0 112.621 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.38 -45.07 66.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.528 0.731 . . . . 0.0 111.116 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.18 -48.06 79.69 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.288 0.635 . . . . 0.0 111.286 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.68 -47.59 84.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.754 0.422 . . . . 0.0 111.504 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.68 -31.32 71.21 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.486 -0.759 . . . . 0.0 112.922 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.1 mtm -69.71 -31.15 69.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.804 -0.56 . . . . 0.0 111.377 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.09 -48.63 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 118.939 0.79 . . . . 0.0 109.394 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -57.29 -27.6 62.29 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -70.58 -28.73 65.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.335 1.054 . . . . 0.0 112.827 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.85 -28.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.4 17.78 5.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.137 1.375 . . . . 0.0 112.576 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -23.09 63.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 113.433 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.34 -11.14 59.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.01 1.324 . . . . 0.0 113.73 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.38 18.74 70.59 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.12 1.343 . . . . 0.0 115.135 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.03 -30.4 67.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.33 4.94 90.35 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.186 1.374 . . . . 0.0 113.71 -171.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -140.07 161.25 38.07 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.688 1.995 . . . . 0.0 110.957 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.9 mt -121.64 131.96 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 125.886 1.675 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -94.73 151.97 18.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.305 1.442 . . . . 0.0 110.518 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.95 -51.54 66.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.834 -1.555 . . . . 0.0 114.939 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.51 -23.18 50.53 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.342 2.028 . . . . 0.0 113.57 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.85 -41.13 62.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.582 1.083 . . . . 0.0 110.755 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.6 -39.38 91.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 111.99 169.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.55 -32.04 71.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.231 -0.918 . . . . 0.0 112.363 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -63.62 -46.86 83.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.099 0.96 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 ptp -65.45 -39.77 92.43 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.902 0.773 . . . . 0.0 111.971 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.3 mmm -62.72 -33.59 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.041 0.936 . . . . 0.0 112.437 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 124.328 1.051 . . . . 0.0 112.537 172.413 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.93 -38.26 66.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.902 0.881 . . . . 0.0 111.806 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.0 -38.74 91.97 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.079 0.854 . . . . 0.0 110.513 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.67 -40.48 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 110.898 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -64.38 -42.54 96.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.762 0.825 . . . . 0.0 112.634 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.89 -35.2 76.03 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.507 -0.746 . . . . 0.0 112.424 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.01 79.93 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.453 -0.78 . . . . 0.0 112.734 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -70.93 -39.0 72.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.125 0.875 . . . . 0.0 112.645 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.03 -27.28 69.0 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.89 -35.72 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.174 0.99 . . . . 0.0 112.428 169.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -88.59 -21.0 24.26 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.91 139.06 58.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.47 1.108 . . . . 0.0 110.948 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -78.57 -12.5 60.02 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -146.15 -14.93 0.46 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.325 1.45 . . . . 0.0 114.33 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.49 25.67 32.42 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.994 1.283 . . . . 0.0 112.237 -167.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -76.19 -25.5 55.25 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.181 1.392 . . . . 0.0 114.149 -171.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.57 13.61 29.76 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 125.554 1.55 . . . . 0.0 113.512 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -142.51 139.46 31.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 114.461 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.38 156.41 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.078 1.751 . . . . 0.0 110.66 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -74.66 136.19 41.91 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.669 -1.269 . . . . 0.0 111.827 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.144 -0.972 . . . . 0.0 113.212 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.95 81.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.853 0.861 . . . . 0.0 112.811 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.5 -42.54 74.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.71 0.804 . . . . 0.0 110.764 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.44 -37.42 78.09 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.642 0.777 . . . . 0.0 111.556 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -65.27 -42.52 93.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.659 -0.651 . . . . 0.0 112.107 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -71.3 -48.59 49.76 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.799 0.84 . . . . 0.0 113.081 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.94 -21.22 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.291 1.036 . . . . 0.0 112.518 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -93.96 -17.46 22.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.3 p -101.32 -32.96 10.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.477 1.035 . . . . 0.0 112.224 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.91 -55.63 3.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.066 0.946 . . . . 0.0 111.97 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.18 154.0 20.5 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.188 1.395 . . . . 0.0 112.008 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 -134.62 14.91 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 111.569 -172.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.37 -171.53 3.5 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.471 0.708 . . . . 0.0 109.65 164.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -84.68 165.43 17.9 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.298 -1.501 . . . . 0.0 111.357 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.31 136.47 21.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.584 1.554 . . . . 0.0 108.496 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -74.47 158.58 33.58 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.399 1.08 . . . . 0.0 111.926 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.8 -44.92 82.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.755 1.222 . . . . 0.0 112.201 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.58 -21.36 62.69 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.303 1.041 . . . . 0.0 112.973 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.61 -57.58 3.39 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.978 0.911 . . . . 0.0 109.117 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.29 -32.32 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -171.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.63 -37.24 82.19 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.054 0.843 . . . . 0.0 111.614 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.65 -27.83 60.59 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.731 0.813 . . . . 0.0 111.881 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 52.2 ttm -57.26 -43.85 83.39 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.135 0.879 . . . . 0.0 111.249 170.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.97 -44.02 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.595 -0.691 . . . . 0.0 110.534 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.56 -27.58 68.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.139 0.976 . . . . 0.0 113.243 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -90.15 -37.01 14.49 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.028 1.331 . . . . 0.0 112.639 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.91 -41.34 19.01 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.604 1.561 . . . . 0.0 112.854 176.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 112.765 -0.134 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -86.95 123.39 32.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.695 0.798 . . . . 0.0 110.168 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.34 125.38 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 127.252 2.221 . . . . 0.0 109.588 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.05 96.13 6.38 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.188 0.518 . . . . 0.0 109.793 166.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -72.52 -25.82 61.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.9 -42.01 86.18 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.61 -0.681 . . . . 0.0 111.648 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.82 -37.53 76.27 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.533 0.733 . . . . 0.0 111.785 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.6 -40.08 93.51 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.088 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.67 -43.92 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.49 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -67.52 -31.19 71.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.206 0.912 . . . . 0.0 112.799 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 77.1 mtm -73.64 -36.9 65.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.233 0.613 . . . . 0.0 112.085 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.6 ttp -72.81 -37.3 67.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.935 1.294 . . . . 0.0 113.093 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.484 1.254 0 C-N-CA 124.629 1.171 . . . . 0.0 113.475 -178.369 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 42.6 mp0 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.508 0.194 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.15 -48.25 71.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 110.999 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.9 m -71.95 -26.91 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.322 -0.861 . . . . 0.0 113.083 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -67.26 -45.57 76.29 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.09 -1.006 . . . . 0.0 111.24 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.02 64.82 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.571 0.748 . . . . 0.0 112.683 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 58.2 mtt -59.19 -30.6 68.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.051 0.94 . . . . 0.0 113.32 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.4 t -71.2 -42.17 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.099 0.863 . . . . 0.0 110.288 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.09 -43.85 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.34 0.656 . . . . 0.0 110.117 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.41 -42.93 96.98 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.369 0.668 . . . . 0.0 111.579 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -60.94 -49.88 75.67 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.772 0.829 . . . . 0.0 111.326 175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.86 97.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.489 0.716 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.46 -41.17 76.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.205 0.602 . . . . 0.0 112.552 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -63.79 -41.05 98.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.311 0.96 . . . . 0.0 111.988 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -64.32 -35.36 80.6 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.111 0.964 . . . . 0.0 112.687 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.83 -50.84 61.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.913 0.885 . . . . 0.0 112.242 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 CA--C 1.537 0.463 0 O-C-N 121.137 -0.977 . . . . 0.0 113.432 178.653 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.3 p -96.51 161.54 13.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.899 1.28 . . . . 0.0 111.372 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.87 -31.67 71.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.63 -22.01 61.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.804 0.842 . . . . 0.0 113.24 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -82.12 -43.26 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.037 0.835 . . . . 0.0 110.343 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.19 -36.43 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.273 1.029 . . . . 0.0 110.99 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.27 66.55 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.33 -41.77 10.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.627 1.171 . . . . 0.0 111.569 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.41 -33.33 73.51 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.536 -0.728 . . . . 0.0 112.106 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -58.54 -39.97 81.67 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.114 0.966 . . . . 0.0 112.498 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.61 -40.22 80.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.56 0.618 . . . . 0.0 111.682 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.81 77.35 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.553 -0.717 . . . . 0.0 112.59 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.5 -40.16 73.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.941 0.896 . . . . 0.0 111.792 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 -18.39 64.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.39 -25.52 59.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.716 1.143 . . . . 0.0 112.715 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -89.81 -20.85 23.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 112.94 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -76.09 84.79 2.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.719 1.208 . . . . 0.0 110.948 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -71.83 -27.56 62.99 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -174.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -89.11 -17.64 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.646 1.179 . . . . 0.0 113.155 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.31 73.04 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.607 1.098 . . . . 0.0 113.849 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -94.13 -5.53 46.98 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.482 1.513 . . . . 0.0 113.992 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 16.42 53.44 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.838 1.209 . . . . 0.0 114.586 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.6 p -125.63 152.07 45.66 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.327 1.451 . . . . 0.0 112.501 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.66 164.55 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.796 1.638 . . . . 0.0 109.776 166.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.7 p -76.38 164.36 26.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.356 0.98 . . . . 0.0 112.494 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -62.71 -26.01 68.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.143 168.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.78 -44.35 50.01 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.472 1.109 . . . . 0.0 111.505 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -66.08 -20.97 66.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.76 1.224 . . . . 0.0 113.506 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.64 -52.1 63.34 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.572 -0.705 . . . . 0.0 111.447 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.36 -19.22 59.57 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.378 -0.679 . . . . 0.0 113.494 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 m -85.06 -43.37 13.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.347 1.459 . . . . 0.0 111.399 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.33 -27.99 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.203 1.365 . . . . 0.0 111.974 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 mmt -54.06 -51.05 65.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.769 0.828 . . . . 0.0 110.81 166.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.15 -28.65 61.42 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.282 1.033 . . . . 0.0 113.338 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -60.98 -32.25 71.81 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.188 -0.945 . . . . 0.0 112.039 167.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.66 11.07 30.23 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.59 1.956 . . . . 0.0 113.276 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.15 87.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.82 1.2 . . . . 0.0 115.156 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -90.03 132.58 35.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.923 1.289 . . . . 0.0 109.432 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -120.48 64.68 11.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.022 0.929 . . . . 0.0 112.681 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.42 142.13 32.75 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.319 2.679 . . . . 0.0 111.225 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 m -70.67 159.66 34.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.013 0.925 . . . . 0.0 109.961 175.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.13 -35.56 69.64 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.929 0.892 . . . . 0.0 112.745 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.41 74.33 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.851 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -74.34 -40.92 61.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.779 0.832 . . . . 0.0 110.731 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -58.67 -48.68 80.24 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.086 0.954 . . . . 0.0 110.474 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -58.81 -42.52 89.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.083 0.856 . . . . 0.0 111.948 176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.62 -35.36 79.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.049 0.94 . . . . 0.0 113.519 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 ptp -83.67 -35.96 24.14 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.075 0.852 . . . . 0.0 112.962 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.96 -54.82 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.583 1.153 . . . . 0.0 110.89 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -63.74 -21.41 66.39 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.752 1.16 . . . . 0.0 113.314 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.45 -22.14 51.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 113.364 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.02 -28.37 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.761 1.164 . . . . 0.0 113.362 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.8 25.04 2.89 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.984 1.714 . . . . 0.0 112.714 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.49 -20.25 62.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.897 1.279 . . . . 0.0 113.676 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.08 -15.34 59.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.32 1.448 . . . . 0.0 113.385 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.91 18.18 79.06 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.782 1.182 . . . . 0.0 113.758 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -73.34 -30.22 63.19 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.854 1.662 . . . . 0.0 113.404 -170.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.31 5.18 82.93 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.765 1.65 . . . . 0.0 114.342 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -136.1 156.4 48.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.779 1.632 . . . . 0.0 112.744 -171.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.78 131.39 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.066 2.146 . . . . 0.0 108.888 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.73 156.68 19.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 112.026 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.24 -51.4 81.13 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.71 -26.87 45.29 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.723 2.282 . . . . 0.0 113.298 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.91 -39.57 69.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.599 1.16 . . . . 0.0 111.472 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -62.58 -42.69 99.72 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 111.997 168.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.4 -32.18 73.68 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.1 m -64.01 -47.8 78.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.18 0.992 . . . . 0.0 110.971 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.4 ptp -67.18 -31.61 72.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.509 0.595 . . . . 0.0 112.47 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.81 -41.97 74.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.991 . . . . 0.0 112.116 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 124.346 1.058 . . . . 0.0 112.329 178.666 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.22 -42.28 69.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.82 0.848 . . . . 0.0 111.993 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -68.53 -40.7 80.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.003 0.921 . . . . 0.0 110.442 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.45 -42.5 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.959 1.304 . . . . 0.0 110.68 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -61.93 -45.31 94.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.498 0.719 . . . . 0.0 112.432 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -63.34 -32.64 74.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.26 96.87 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.469 1.031 . . . . 0.0 111.579 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -68.46 -39.11 81.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.732 -0.605 . . . . 0.0 112.383 169.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -64.53 -32.01 73.47 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.684 0.794 . . . . 0.0 112.686 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.52 -37.11 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.675 1.19 . . . . 0.0 111.908 170.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.69 -23.83 31.54 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -68.6 117.32 10.18 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.923 0.868 . . . . 0.0 110.242 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -81.69 -8.86 59.75 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 113.921 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.5 -20.76 5.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.35 1.46 . . . . 0.0 113.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.4 19.25 69.37 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.853 1.216 . . . . 0.0 113.123 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.85 -19.73 61.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.826 1.65 . . . . 0.0 114.472 -174.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.56 11.1 52.19 Favored Glycine 0 N--CA 1.476 1.33 0 C-N-CA 125.49 1.519 . . . . 0.0 113.922 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.44 142.94 39.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.052 1.341 . . . . 0.0 113.075 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.55 159.67 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.773 1.629 . . . . 0.0 110.623 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -80.41 139.95 36.25 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.015 -1.053 . . . . 0.0 111.746 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.9 98.63 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.856 -1.152 . . . . 0.0 112.918 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.13 71.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 0.0 113.096 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.98 -44.57 30.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.399 1.48 . . . . 0.0 111.203 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.79 -39.45 94.28 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.056 0.844 . . . . 0.0 111.991 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -55.23 -54.34 44.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.862 0.865 . . . . 0.0 111.091 166.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -66.63 -42.41 86.81 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.2 -23.2 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.519 -1.363 . . . . 0.0 112.53 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.51 -20.61 50.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.84 1.256 . . . . 0.0 114.359 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 77.4 p -108.83 -12.66 14.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.9 1.28 . . . . 0.0 113.636 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -103.99 -42.67 5.5 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.16 152.76 18.5 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.491 1.116 . . . . 0.0 112.333 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.9 -152.74 50.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.309 1.433 . . . . 0.0 114.154 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.86 140.06 55.19 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 160.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -91.83 140.34 29.78 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 tp -87.8 155.32 19.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.564 1.546 . . . . 0.0 110.609 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -83.78 162.52 20.6 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.94 -39.64 78.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.266 1.426 . . . . 0.0 111.98 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.89 -42.7 94.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.0 1.72 . . . . 0.0 110.915 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.68 -43.64 65.65 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.123 0.969 . . . . 0.0 112.135 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.74 -32.36 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.343 1.428 . . . . 0.0 111.983 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.45 -39.47 92.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.07 0.85 . . . . 0.0 112.054 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -64.21 -48.11 77.11 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.486 0.585 . . . . 0.0 111.279 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttm -56.65 -50.79 71.03 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.413 1.085 . . . . 0.0 112.114 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.13 -40.42 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.399 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -65.17 -37.23 86.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.21 -20.57 60.84 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.85 -43.7 12.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.928 0.891 . . . . 0.0 112.614 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 125.493 1.517 . . . . 0.0 114.121 -172.544 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.14 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -89.04 146.39 24.88 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.663 1.185 . . . . 0.0 110.542 165.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.0 t -88.36 124.24 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.978 1.711 . . . . 0.0 109.507 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.44 73.53 7.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.992 1.317 . . . . 0.0 110.383 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -63.07 -23.96 67.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.59 -39.25 79.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.688 0.795 . . . . 0.0 112.343 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -80.12 -34.97 37.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.232 1.013 . . . . 0.0 111.698 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -62.21 -28.58 69.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.982 1.313 . . . . 0.0 113.241 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.06 -39.56 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.544 1.138 . . . . 0.0 112.522 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.42 -25.92 65.27 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.143 0.883 . . . . 0.0 111.887 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.1 mtt -70.46 -19.88 62.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.31 1.044 . . . . 0.0 112.73 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 18.0 mmt -78.12 -42.05 33.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.043 1.337 . . . . 0.0 112.282 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 124.955 1.302 . . . . 0.0 111.587 177.759 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.89 -45.25 78.61 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.516 -0.74 . . . . 0.0 111.663 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.0 m -71.08 -31.43 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 69.8 m -63.17 -43.7 97.53 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.345 -0.847 . . . . 0.0 111.495 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.77 68.84 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.386 -0.821 . . . . 0.0 112.669 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.0 mtm -79.34 -16.72 55.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 55.7 t -81.61 -43.72 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.758 1.163 . . . . 0.0 110.939 172.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.49 -35.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.542 0.61 . . . . 0.0 111.767 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.4 -34.7 76.5 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -65.95 -39.97 90.91 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.512 1.051 . . . . 0.0 111.186 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.92 96.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.242 1.417 . . . . 0.0 111.422 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -72.46 -35.77 68.32 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.475 -0.766 . . . . 0.0 112.763 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.54 -21.22 61.93 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.217 -0.927 . . . . 0.0 112.402 172.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -73.84 -39.69 63.83 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.368 1.067 . . . . 0.0 111.755 164.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 71.3 t60 -58.4 -51.47 69.68 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.224 0.92 . . . . 0.0 112.748 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 124.983 1.313 . . . . 0.0 114.43 -172.105 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.5 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -93.25 160.06 15.0 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.879 1.672 . . . . 0.0 111.515 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.612 0.765 . . . . 0.0 112.987 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.9 -24.67 61.68 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -81.17 -44.27 18.1 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.83 0.852 . . . . 0.0 110.31 170.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.73 -37.39 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.914 1.286 . . . . 0.0 111.952 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.77 67.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.441 1.096 . . . . 0.0 113.723 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.98 -39.85 12.71 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.81 0.844 . . . . 0.0 111.691 173.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.33 -30.53 71.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.405 0.682 . . . . 0.0 112.76 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.16 -44.3 71.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.592 1.157 . . . . 0.0 112.555 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -38.3 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.278 0.631 . . . . 0.0 111.935 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.67 -47.65 45.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.151 0.432 . . . . 0.0 111.817 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -58.54 -42.04 86.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.808 0.843 . . . . 0.0 112.354 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 m -66.32 -18.55 65.42 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -29.66 38.71 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.084 1.311 . . . . 0.0 111.808 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 35' ' ' VAL . 77.2 m-85 -88.06 -11.77 46.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.946 1.299 . . . . 0.0 113.005 175.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.81 63.3 2.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.035 1.734 . . . . 0.0 110.568 166.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -67.82 -25.66 65.68 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.903 1.281 . . . . 0.0 113.835 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.16 -16.81 36.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.79 1.236 . . . . 0.0 113.303 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.82 13.76 80.81 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.674 1.13 . . . . 0.0 114.403 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.15 -18.6 42.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 113.736 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.3 20.44 25.26 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.904 1.24 . . . . 0.0 113.921 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -133.26 151.85 51.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.407 1.483 . . . . 0.0 111.144 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.28 161.69 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.152 0.981 . . . . 0.0 110.462 166.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -79.25 153.53 29.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.551 0.741 . . . . 0.0 111.339 166.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -60.75 -35.59 76.78 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.475 1.11 . . . . 0.0 111.871 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.32 -35.76 80.09 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 113.078 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -85.83 -8.09 58.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.312 1.045 . . . . 0.0 113.137 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.23 -47.7 68.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.519 1.054 . . . . 0.0 110.998 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.8 -13.59 59.41 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.722 1.153 . . . . 0.0 114.414 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.6 m -92.7 -41.04 10.38 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.88 1.672 . . . . 0.0 110.596 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.6 t -60.91 -40.45 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 119.536 1.062 . . . . 0.0 110.377 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -53.54 -53.17 55.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 110.903 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.89 -26.3 63.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.063 0.945 . . . . 0.0 113.19 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.9 m -70.01 -19.4 63.32 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.244 -0.91 . . . . 0.0 112.997 170.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.93 -2.19 26.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.653 1.981 . . . . 0.0 113.324 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 5.89 66.74 Favored Glycine 0 N--CA 1.475 1.292 0 C-N-CA 125.295 1.426 . . . . 0.0 115.138 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -85.0 128.33 34.58 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.134 1.467 . . . . 0.0 109.446 172.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -119.65 73.16 16.37 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.057 0.943 . . . . 0.0 111.137 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.91 131.32 16.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.464 2.776 . . . . 0.0 111.443 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.77 156.56 13.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.537 1.135 . . . . 0.0 109.296 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.29 -34.11 63.84 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.87 74.42 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.263 1.025 . . . . 0.0 112.951 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.57 -37.17 82.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.137 1.375 . . . . 0.0 111.372 175.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.43 -48.77 71.62 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.251 1.02 . . . . 0.0 110.488 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -63.69 -36.76 84.9 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.477 0.581 . . . . 0.0 111.491 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.51 -34.58 75.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.975 0.91 . . . . 0.0 112.695 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.1 mtm -75.6 -42.41 51.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 111.373 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -56.63 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.529 0.604 . . . . 0.0 110.575 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -65.82 -17.52 64.69 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.72 -27.2 64.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.438 1.095 . . . . 0.0 113.446 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -112.44 -24.66 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.184 0.994 . . . . 0.0 113.354 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.91 23.72 3.55 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.312 1.845 . . . . 0.0 112.675 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.1 -24.05 66.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.75 1.22 . . . . 0.0 113.306 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.01 -15.76 56.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.588 1.555 . . . . 0.0 113.25 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.9 17.57 79.7 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.199 1.381 . . . . 0.0 113.375 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.36 -26.38 63.71 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.747 1.219 . . . . 0.0 113.89 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.76 0.51 87.68 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.483 1.516 . . . . 0.0 114.982 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.0 p -137.55 160.8 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.828 1.651 . . . . 0.0 112.299 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -132.2 132.66 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.738 2.015 . . . . 0.0 108.762 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.98 157.25 16.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.87 1.268 . . . . 0.0 110.854 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 28.3 t80 -56.95 -43.85 99.56 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.764 -172.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.2 -35.52 85.09 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.752 2.301 . . . . 0.0 113.421 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -70.96 -43.85 67.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.618 0.767 . . . . 0.0 110.926 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.08 -45.48 90.73 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.52 1.128 . . . . 0.0 112.365 172.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.42 -35.78 81.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.651 -0.656 . . . . 0.0 112.108 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -63.77 -44.04 94.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.844 0.747 . . . . 0.0 110.676 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.1 -48.33 80.5 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.561 0.618 . . . . 0.0 111.93 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.2 -40.11 96.56 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.796 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 124.836 1.254 . . . . 0.0 112.918 175.4 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.58 -33.31 68.96 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.275 0.943 . . . . 0.0 112.283 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -71.6 -42.35 67.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.427 1.091 . . . . 0.0 110.516 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.34 -43.4 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 110.703 171.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.21 -46.49 88.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.124 0.969 . . . . 0.0 112.148 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.35 -33.12 75.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.708 0.803 . . . . 0.0 112.878 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.19 80.84 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.354 -0.841 . . . . 0.0 112.514 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' A' ' 142' ' ' VAL . 79.5 m-85 -69.45 -39.28 77.89 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.915 0.78 . . . . 0.0 112.305 171.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.73 -28.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.042 0.937 . . . . 0.0 112.723 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.87 -39.27 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.006 0.922 . . . . 0.0 112.121 168.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -83.68 -20.34 33.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 73.18 2.04 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.783 1.278 . . . . 0.0 111.237 168.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -64.85 -19.27 65.78 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.403 1.881 . . . . 0.0 115.441 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.46 -18.25 21.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.174 1.39 . . . . 0.0 113.429 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.71 22.68 68.95 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.332 0.968 . . . . 0.0 113.33 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.52 -21.64 48.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.956 1.302 . . . . 0.0 114.346 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.05 7.47 77.36 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.988 1.28 . . . . 0.0 114.047 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -140.71 157.04 46.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.114 1.766 . . . . 0.0 111.924 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -133.4 155.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.642 1.577 . . . . 0.0 109.874 174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.7 m -77.21 143.33 39.08 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.894 -1.129 . . . . 0.0 111.587 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.9 78.02 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.072 -1.017 . . . . 0.0 112.802 178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.74 73.04 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.549 0.74 . . . . 0.0 112.829 172.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -71.28 -44.86 64.41 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.369 1.068 . . . . 0.0 110.54 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.46 -33.62 75.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.079 0.952 . . . . 0.0 112.599 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.5 -51.54 65.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.382 0.673 . . . . 0.0 110.722 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -66.26 -45.19 81.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.874 0.87 . . . . 0.0 112.914 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.97 -17.22 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.248 -0.907 . . . . 0.0 112.691 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -95.63 -18.75 20.29 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.215 1.406 . . . . 0.0 114.264 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -108.47 -20.51 13.09 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.951 1.3 . . . . 0.0 113.183 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -94.88 -38.11 10.87 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.684 1.194 . . . . 0.0 113.072 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.23 154.81 27.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.149 1.38 . . . . 0.0 113.162 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.88 -144.08 33.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.835 1.207 . . . . 0.0 113.441 171.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.7 117.1 23.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.776 1.23 . . . . 0.0 108.433 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -65.04 126.65 28.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.323 -0.861 . . . . 0.0 112.639 -169.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.72 146.31 30.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.258 1.023 . . . . 0.0 110.382 170.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.1 p -71.26 168.13 17.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 122.493 1.139 . . . . 0.0 111.795 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.77 -31.88 62.98 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.573 -1.649 . . . . 0.0 112.244 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.82 -44.76 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.151 0.981 . . . . 0.0 111.874 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.27 -47.38 76.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.538 0.735 . . . . 0.0 111.721 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.91 -33.06 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.438 0.563 . . . . 0.0 111.856 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.94 -48.4 79.05 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.827 0.74 . . . . 0.0 110.708 170.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.29 -41.78 97.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.177 0.591 . . . . 0.0 112.096 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.4 ttm -59.52 -46.34 89.12 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.59 -0.693 . . . . 0.0 112.3 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.3 mm -72.68 -40.92 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.302 0.641 . . . . 0.0 110.955 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.4 ttm-85 -56.49 -35.9 68.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.832 1.253 . . . . 0.0 112.771 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -76.02 -11.69 59.99 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.96 -39.11 7.49 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.864 1.265 . . . . 0.0 113.275 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 126.249 1.819 . . . . 0.0 114.66 -171.102 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.624 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.55 119.34 25.08 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.578 1.189 . . . . 0.0 109.884 162.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -86.87 123.57 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 125.815 1.646 . . . . 0.0 109.245 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -78.79 89.74 4.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.94 0.876 . . . . 0.0 109.124 165.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 39.7 p90 -66.52 -28.29 68.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.05 -41.2 95.39 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.731 0.813 . . . . 0.0 112.009 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -38.98 75.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.722 0.409 . . . . 0.0 111.905 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.13 -35.89 76.28 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.609 -0.71 . . . . 0.0 112.784 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 45.5 t -53.33 -61.55 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.803 0.841 . . . . 0.0 110.312 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.41 -31.21 71.83 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.9 mtm -62.27 -32.17 72.85 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.012 0.824 . . . . 0.0 113.148 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -93.34 -32.41 14.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.477 0.879 0 CA-C-N 119.991 1.268 . . . . 0.0 114.137 -173.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.01 -43.98 81.51 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.338 -0.852 . . . . 0.0 111.881 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.7 m -71.33 -32.43 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.916 -0.49 . . . . 0.0 112.275 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 74.3 m -64.98 -46.84 79.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.179 0.9 . . . . 0.0 111.725 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.55 -44.91 69.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.586 0.754 . . . . 0.0 111.854 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.29 -28.13 67.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 74.6 t -75.18 -39.41 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.181 1.355 . . . . 0.0 111.24 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.88 -41.83 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.534 -0.729 . . . . 0.0 110.593 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -66.34 -36.41 82.85 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.5 1.12 . . . . 0.0 111.58 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -62.38 -43.02 99.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.244 1.017 . . . . 0.0 111.771 172.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.61 86.6 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.948 0.899 . . . . 0.0 112.545 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -67.45 -44.68 78.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.839 0.456 . . . . 0.0 111.65 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -70.02 -26.54 64.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -62.89 -55.21 28.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.478 0.711 . . . . 0.0 110.495 163.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.7 t60 -58.17 -44.06 87.76 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.869 1.268 . . . . 0.0 114.341 -174.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -176.526 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -87.11 157.82 19.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.579 1.552 . . . . 0.0 111.814 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.49 -37.92 76.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.49 0.716 . . . . 0.0 112.463 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -24.09 63.82 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -84.38 -42.46 15.68 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.908 0.776 . . . . 0.0 110.777 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -56.76 -40.02 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.692 1.197 . . . . 0.0 111.66 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.68 70.96 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.587 1.155 . . . . 0.0 113.654 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.63 -40.15 19.37 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.959 0.904 . . . . 0.0 111.331 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -65.87 -33.64 76.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.318 0.647 . . . . 0.0 112.306 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.84 -44.08 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.044 0.938 . . . . 0.0 112.571 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.98 -31.74 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.936 1.294 . . . . 0.0 112.471 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.4 -39.51 24.86 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.487 -0.758 . . . . 0.0 112.507 171.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -65.71 -38.17 88.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.345 1.058 . . . . 0.0 112.581 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -66.26 -20.88 66.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.88 -24.65 52.57 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.063 -1.023 . . . . 0.0 112.465 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -92.73 -11.34 34.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.347 1.459 . . . . 0.0 112.911 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.24 66.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.91 1.684 . . . . 0.0 111.498 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.29 -28.44 67.18 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.461 1.904 . . . . 0.0 113.309 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.15 -22.7 48.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.324 1.05 . . . . 0.0 113.118 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.22 89.51 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.489 1.519 . . . . 0.0 115.011 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.74 -9.3 56.21 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.157 1.383 . . . . 0.0 113.608 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 20.24 25.88 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.13 1.348 . . . . 0.0 113.458 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.2 p -120.54 150.84 40.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.756 1.622 . . . . 0.0 111.812 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.6 pt -122.93 163.24 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.923 1.289 . . . . 0.0 110.617 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -78.5 166.36 22.68 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.967 0.889 . . . . 0.0 112.118 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -64.75 -28.33 69.51 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.607 1.163 . . . . 0.0 112.329 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -77.78 -35.45 51.56 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -17.9 60.76 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.239 0.927 . . . . 0.0 112.862 174.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -49.58 73.96 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.13 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.46 -28.05 72.59 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.734 0.683 . . . . 0.0 113.253 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -73.58 -50.16 22.64 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.564 1.146 . . . . 0.0 110.495 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.7 -33.18 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 119.584 1.083 . . . . 0.0 112.214 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -55.84 -55.02 37.45 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.031 0.832 . . . . 0.0 111.128 169.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.95 -24.24 59.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.707 0.803 . . . . 0.0 112.97 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -69.68 -36.11 75.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.272 1.029 . . . . 0.0 111.94 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.97 -25.52 43.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 113.006 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.65 17.68 10.95 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.28 1.419 . . . . 0.0 115.195 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.029 1.415 . . . . 0.0 109.033 166.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -122.99 69.63 38.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.462 1.105 . . . . 0.0 111.466 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -71.62 159.56 50.72 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.841 2.361 . . . . 0.0 110.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -69.67 164.42 23.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.692 . . . . 0.0 110.398 165.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.46 -37.99 73.74 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.507 -0.746 . . . . 0.0 111.683 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.91 71.67 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.086 0.954 . . . . 0.0 112.764 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.19 -37.12 77.98 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.241 0.928 . . . . 0.0 111.932 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.07 -49.28 76.57 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 110.76 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -37.9 83.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.478 0.711 . . . . 0.0 111.706 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.02 -36.94 83.22 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -68.2 -38.05 81.56 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.249 0.931 . . . . 0.0 111.015 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -53.62 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.215 0.606 . . . . 0.0 110.164 172.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -57.16 -25.84 59.59 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.259 1.024 . . . . 0.0 113.614 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.57 -26.9 64.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.863 0.865 . . . . 0.0 112.449 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -114.06 -30.05 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.37 27.46 6.22 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.803 1.641 . . . . 0.0 112.651 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.17 -26.16 62.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.915 1.286 . . . . 0.0 113.547 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -82.79 -8.91 59.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.662 1.585 . . . . 0.0 113.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.55 54.6 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.666 1.127 . . . . 0.0 115.79 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.38 -24.92 59.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 1.29 . . . . 0.0 114.149 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.47 9.55 84.68 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.799 1.19 . . . . 0.0 114.225 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.5 p -141.25 158.64 43.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.243 1.817 . . . . 0.0 112.203 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.33 126.54 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 126.555 1.942 . . . . 0.0 108.528 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -87.38 155.34 20.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.443 1.497 . . . . 0.0 111.465 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 30.4 t80 -49.78 -48.54 77.07 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.47 -24.22 42.81 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.181 1.921 . . . . 0.0 113.65 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.74 -42.96 60.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.492 1.042 . . . . 0.0 110.621 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.05 -41.9 93.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.917 1.287 . . . . 0.0 111.843 170.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.15 -33.22 75.28 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.295 -0.878 . . . . 0.0 112.491 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 m -67.3 -46.51 73.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.259 1.024 . . . . 0.0 111.236 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.17 -35.46 80.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.358 0.981 . . . . 0.0 112.197 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.8 mmm -69.61 -41.78 75.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.02 0.928 . . . . 0.0 112.683 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.515 1.526 . . . . 0.0 111.288 173.858 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.65 -34.21 77.37 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 112.693 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.26 -40.59 70.88 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.231 0.923 . . . . 0.0 110.462 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.83 -43.37 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.627 0.771 . . . . 0.0 110.052 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -66.33 -42.47 88.13 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.88 -35.43 78.31 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.054 0.942 . . . . 0.0 111.756 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.21 91.31 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.824 0.738 . . . . 0.0 111.123 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -63.77 -38.26 90.44 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.733 -0.604 . . . . 0.0 112.439 170.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -69.77 -26.19 64.17 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.88 -34.71 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.194 0.998 . . . . 0.0 111.668 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -87.29 -15.94 36.59 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.65 124.47 22.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.067 0.947 . . . . 0.0 109.923 165.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -80.35 -8.22 59.41 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -134.21 -21.88 1.81 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.949 1.3 . . . . 0.0 113.856 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.17 22.64 51.44 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 124.867 1.222 . . . . 0.0 112.504 -168.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -73.13 -22.3 60.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.765 1.626 . . . . 0.0 114.539 -173.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.09 17.13 33.09 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.24 1.4 . . . . 0.0 113.254 -173.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -143.05 142.88 31.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.362 1.465 . . . . 0.0 112.857 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.11 156.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.22 1.408 . . . . 0.0 110.728 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -78.29 138.75 38.76 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.258 -0.901 . . . . 0.0 111.419 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.14 72.36 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.148 -0.97 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.99 82.12 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.178 -0.951 . . . . 0.0 112.722 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 -45.49 68.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.588 0.755 . . . . 0.0 110.496 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.82 -34.19 72.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.538 1.135 . . . . 0.0 112.568 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.15 -46.19 68.2 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.829 0.852 . . . . 0.0 111.19 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -71.06 -43.57 67.53 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.147 0.979 . . . . 0.0 113.308 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.18 -44.04 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 118.928 0.785 . . . . 0.0 111.588 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -67.95 -26.61 66.04 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.309 1.043 . . . . 0.0 113.663 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -95.66 -3.56 45.94 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.58 -19.92 0.84 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.26 152.52 24.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.054 1.297 . . . . 0.0 111.567 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.5 -145.57 49.98 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.806 0.717 . . . . 0.0 111.712 -172.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.62 135.22 36.52 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 161.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.13 129.86 40.55 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.097 -1.002 . . . . 0.0 112.716 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.93 149.05 32.45 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 110.991 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -74.92 153.53 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.467 1.107 . . . . 0.0 111.398 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.48 -42.89 79.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.59 1.156 . . . . 0.0 111.748 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.64 -11.99 61.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 113.463 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -96.49 -53.97 3.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.446 1.498 . . . . 0.0 110.275 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -65.79 -30.96 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.655 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.4 -29.42 67.16 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.991 -1.068 . . . . 0.0 112.191 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.34 -38.69 55.56 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.508 0.723 . . . . 0.0 111.438 170.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttm -55.14 -48.16 74.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.081 0.552 . . . . 0.0 110.781 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.35 -39.34 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.017 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -56.4 -41.56 76.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.669 1.122 . . . . 0.0 112.356 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -82.05 -19.7 39.78 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.18 -34.8 12.78 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.7 1.2 . . . . 0.0 114.011 -172.304 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 CA-C-O 119.802 -0.444 . . . . 0.0 114.191 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -100.49 136.96 39.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.966 1.306 . . . . 0.0 109.712 171.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.31 121.74 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 126.22 1.808 . . . . 0.0 109.181 -174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -77.78 78.15 4.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.351 1.06 . . . . 0.0 110.382 165.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -58.39 -21.27 49.78 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -56.58 -40.37 75.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.117 0.967 . . . . 0.0 111.833 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -75.24 -33.8 61.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.352 1.061 . . . . 0.0 111.153 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -64.78 -39.71 94.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 111.937 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.13 -45.22 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.332 0.653 . . . . 0.0 110.838 171.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -62.96 -40.98 99.32 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.343 0.52 . . . . 0.0 111.837 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.62 -35.37 79.37 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.314 -0.867 . . . . 0.0 112.483 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.0 mtm -71.05 -38.53 72.53 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.557 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.61 -41.96 78.8 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.8 -0.562 . . . . 0.0 111.975 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.8 m -83.81 -27.16 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.53 0.732 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 64.6 m -61.95 -41.01 97.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.09 -1.006 . . . . 0.0 111.425 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.78 70.68 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.8 -40.1 76.18 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.805 0.842 . . . . 0.0 112.792 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 77.3 t -70.11 -36.12 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.955 0.798 . . . . 0.0 111.487 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -50.96 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.504 0.593 . . . . 0.0 111.576 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.66 -27.27 63.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.55 -43.06 97.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.047 0.839 . . . . 0.0 111.485 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.34 75.07 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.543 0.737 . . . . 0.0 111.541 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.97 -44.42 92.79 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.65 -39.68 88.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.641 0.776 . . . . 0.0 112.402 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.88 -34.64 78.88 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.558 0.617 . . . . 0.0 112.24 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.41 -47.85 66.19 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 112.72 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 N--CA 1.47 0.572 0 CA-C-N 119.197 0.908 . . . . 0.0 113.053 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -104.43 159.17 15.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.46 -32.23 73.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.332 0.653 . . . . 0.0 112.735 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.18 -27.03 64.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 112.747 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.74 -44.17 34.24 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.582 -0.698 . . . . 0.0 109.885 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.48 -43.76 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.101 0.961 . . . . 0.0 111.023 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -76.7 -48.01 20.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.034 1.334 . . . . 0.0 110.958 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -66.47 -26.08 67.02 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.56 -39.56 84.43 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.609 0.764 . . . . 0.0 112.298 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.75 -34.39 73.75 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.29 -43.03 61.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.455 0.571 . . . . 0.0 112.321 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.92 -40.56 95.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.417 1.087 . . . . 0.0 111.768 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 m -70.12 -15.65 63.0 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -29.13 62.45 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.667 1.121 . . . . 0.0 112.355 172.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -87.84 -13.42 42.18 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.501 1.521 . . . . 0.0 113.196 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -76.38 76.79 3.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.926 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -73.44 -23.35 60.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.153 1.381 . . . . 0.0 113.508 -176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.4 -19.56 27.92 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.011 1.325 . . . . 0.0 113.707 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.91 11.65 81.08 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.939 1.257 . . . . 0.0 114.536 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.13 -4.67 51.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.571 1.548 . . . . 0.0 113.665 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.63 21.71 46.37 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.901 1.239 . . . . 0.0 114.092 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -126.45 159.33 33.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.431 1.492 . . . . 0.0 111.43 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.13 160.22 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.708 1.203 . . . . 0.0 110.649 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -70.92 149.14 47.02 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 166.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.7 p -56.26 -31.86 63.98 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.983 0.913 . . . . 0.0 112.189 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.75 -23.43 66.09 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.725 1.21 . . . . 0.0 114.166 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.86 -10.05 55.99 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.004 0.922 . . . . 0.0 113.015 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.73 -48.33 82.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.69 1.132 . . . . 0.0 111.131 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.8 -26.6 67.21 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-O 119.404 -0.665 . . . . 0.0 112.255 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -75.56 -48.75 21.04 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.945 1.298 . . . . 0.0 111.15 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.27 -34.76 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-N 120.15 1.341 . . . . 0.0 111.464 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.9 mtp -64.58 -40.3 95.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.579 0.627 . . . . 0.0 111.729 173.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -66.49 -39.83 88.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.311 1.045 . . . . 0.0 112.59 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -64.66 -26.23 68.3 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.114 -0.991 . . . . 0.0 113.22 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -89.0 11.03 19.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.732 1.613 . . . . 0.0 113.495 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.17 9.91 86.61 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.648 1.118 . . . . 0.0 115.219 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -88.77 148.24 24.04 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.327 1.063 . . . . 0.0 109.915 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -131.09 66.18 78.37 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.839 0.856 . . . . 0.0 112.573 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.26 151.52 71.92 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.816 2.344 . . . . 0.0 110.807 170.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 p -72.76 168.84 17.96 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.826 0.851 . . . . 0.0 110.55 166.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.87 -35.27 72.71 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.915 -0.49 . . . . 0.0 111.293 170.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.57 66.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.156 0.982 . . . . 0.0 112.246 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -60.41 -42.32 95.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.609 0.764 . . . . 0.0 111.567 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.61 -47.24 73.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.866 0.867 . . . . 0.0 111.451 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.93 -35.68 80.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.46 0.573 . . . . 0.0 112.247 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -64.56 -34.92 79.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.291 1.036 . . . . 0.0 113.172 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.2 mtm -77.59 -36.85 51.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.428 0.558 . . . . 0.0 111.313 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.99 -61.02 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.233 1.013 . . . . 0.0 110.887 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.28 -19.11 65.19 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.59 1.086 . . . . 0.0 113.686 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -68.47 -36.83 79.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.597 1.159 . . . . 0.0 112.557 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.1 -30.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.498 0.719 . . . . 0.0 112.644 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -90.51 32.99 0.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.601 1.561 . . . . 0.0 112.39 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.67 67.51 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.805 1.242 . . . . 0.0 113.475 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -82.86 -11.2 58.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.763 1.225 . . . . 0.0 113.698 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.68 78.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.909 1.242 . . . . 0.0 115.323 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -71.39 -20.49 62.13 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.931 1.366 . . . . 0.0 114.25 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.97 15.46 72.52 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.115 1.341 . . . . 0.0 113.765 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 p -134.85 159.38 41.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 112.746 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 mt -131.67 132.6 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.44 1.896 . . . . 0.0 108.948 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.06 153.85 18.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.426 1.49 . . . . 0.0 111.205 174.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.41 -44.19 98.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -171.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.07 -32.31 91.67 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.044 2.496 . . . . 0.0 114.273 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.06 -41.43 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.12 0.968 . . . . 0.0 110.745 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -62.7 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.336 1.055 . . . . 0.0 112.054 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.81 -27.88 68.58 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.184 -0.947 . . . . 0.0 112.999 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -37.67 88.38 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.993 0.917 . . . . 0.0 110.902 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.8 mtt -60.71 -48.19 82.89 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.361 0.665 . . . . 0.0 110.985 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.72 -48.04 78.67 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.443 1.097 . . . . 0.0 111.925 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 124.247 1.019 . . . . 0.0 113.256 -178.338 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.56 -35.9 82.2 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.724 0.81 . . . . 0.0 112.158 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.14 -38.61 88.56 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.702 0.801 . . . . 0.0 111.033 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.19 -38.99 64.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.419 1.088 . . . . 0.0 110.604 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.76 -45.77 84.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.81 -25.23 64.57 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.737 0.699 . . . . 0.0 112.376 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.98 99.19 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.582 -0.699 . . . . 0.0 110.901 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -64.88 -36.77 85.42 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 170.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -65.23 -30.49 71.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.807 0.843 . . . . 0.0 113.197 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.61 -33.8 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-N 119.456 1.025 . . . . 0.0 111.774 170.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -97.79 2.49 49.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.448 1.499 . . . . 0.0 114.126 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -76.21 133.26 40.18 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.425 1.09 . . . . 0.0 110.479 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -16.77 64.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -145.23 -19.67 0.49 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.531 1.532 . . . . 0.0 114.026 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.43 23.6 36.41 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.767 1.175 . . . . 0.0 112.063 -166.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.57 -19.82 57.48 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.237 1.415 . . . . 0.0 114.402 -170.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.27 16.88 31.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.855 1.693 . . . . 0.0 113.714 -174.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -145.36 141.37 28.43 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.463 1.505 . . . . 0.0 112.133 -172.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 pt -132.84 153.67 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.266 1.426 . . . . 0.0 110.745 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -78.22 136.21 37.75 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.004 -1.06 . . . . 0.0 111.173 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.93 74.53 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.2 -0.937 . . . . 0.0 113.218 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.6 83.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.16 0.984 . . . . 0.0 112.702 173.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -68.18 -44.28 76.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.812 0.845 . . . . 0.0 110.122 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.31 -51.95 66.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.411 1.084 . . . . 0.0 110.511 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -54.94 -44.96 74.77 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.371 1.068 . . . . 0.0 111.896 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.73 -43.22 84.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.945 0.898 . . . . 0.0 113.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.0 -43.71 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.978 . . . . 0.0 110.433 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.0 mmt -74.16 -16.94 60.98 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.6 p -108.4 -16.59 14.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.933 1.293 . . . . 0.0 113.531 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.07 -49.35 3.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.422 1.089 . . . . 0.0 112.961 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.44 143.07 27.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.163 1.385 . . . . 0.0 112.407 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.98 -157.52 52.32 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 125.028 1.299 . . . . 0.0 113.526 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.19 147.93 50.6 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.309 -0.524 . . . . 0.0 109.93 161.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -94.2 149.77 20.93 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -163.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.97 134.06 36.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.461 1.504 . . . . 0.0 109.435 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -70.52 155.95 40.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.824 1.249 . . . . 0.0 110.468 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.11 -41.65 65.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.711 1.204 . . . . 0.0 112.961 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.41 -14.13 60.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.655 1.182 . . . . 0.0 113.147 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -94.94 -51.7 4.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.547 1.539 . . . . 0.0 110.717 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.05 -32.54 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.392 -0.817 . . . . 0.0 112.579 -173.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.12 -47.1 72.16 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.819 0.736 . . . . 0.0 110.682 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.78 -37.14 80.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.129 0.972 . . . . 0.0 112.49 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.4 ttm -57.48 -29.43 64.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.895 0.878 . . . . 0.0 112.46 172.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.59 -39.68 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.482 0.713 . . . . 0.0 111.606 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -59.15 -31.46 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.176 1.353 . . . . 0.0 112.626 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -83.68 -6.79 59.53 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.183 0.993 . . . . 0.0 113.625 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.93 -35.07 7.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.887 1.675 . . . . 0.0 113.303 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.522 1.929 . . . . 0.0 113.812 -175.824 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 CA-C-O 118.371 -1.239 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -90.28 126.52 35.87 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.698 1.749 . . . . 0.0 110.644 170.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.94 123.24 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.946 1.698 . . . . 0.0 108.734 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -78.03 85.03 4.26 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 164.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -64.93 -23.13 67.13 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -170.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.42 -35.35 75.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.557 1.143 . . . . 0.0 112.314 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.17 -40.3 24.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.45 0.7 . . . . 0.0 111.028 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.7 -41.51 86.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.85 0.75 . . . . 0.0 112.874 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.94 -51.77 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.307 0.643 . . . . 0.0 110.79 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -71.78 -28.29 63.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.6 -34.29 76.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -91.96 -25.57 18.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.482 1.156 0 CA-C-N 120.449 1.477 . . . . 0.0 112.46 172.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.42 -27.49 34.7 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.998 -1.064 . . . . 0.0 113.361 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 20.4 m -92.74 -34.01 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.056 0.844 . . . . 0.0 111.941 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 13.9 p -63.27 -38.3 90.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.56 -0.712 . . . . 0.0 111.681 171.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.52 67.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.806 171.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -79.78 -29.72 40.45 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 56.7 t -65.38 -39.36 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.296 0.953 . . . . 0.0 110.973 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.01 -41.4 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 121.814 -0.553 . . . . 0.0 110.89 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.99 -37.49 86.07 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.493 0.717 . . . . 0.0 111.878 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.5 -46.54 83.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.202 1.001 . . . . 0.0 112.178 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.53 77.56 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.021 . . . . 0.0 111.865 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.48 -39.22 88.65 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.457 0.703 . . . . 0.0 112.752 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.7 -35.57 75.19 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.267 -0.896 . . . . 0.0 112.441 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.21 -33.52 75.95 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.282 0.947 . . . . 0.0 111.964 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.07 -49.59 67.07 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.34 0.973 . . . . 0.0 112.249 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.46 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.763 0.316 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -133.17 165.49 24.65 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.491 1.916 . . . . 0.0 110.3 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.44 -38.82 69.53 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.193 0.997 . . . . 0.0 112.718 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.18 -22.85 61.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.427 1.091 . . . . 0.0 113.472 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -81.52 -45.23 16.23 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.506 -0.746 . . . . 0.0 110.068 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.88 -38.81 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.226 1.411 . . . . 0.0 111.389 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.96 68.54 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 113.599 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.94 -42.2 11.33 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.963 0.905 . . . . 0.0 111.623 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.92 -29.39 70.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -61.06 -32.74 72.37 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 173.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.66 -23.65 58.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.781 0.833 . . . . 0.0 112.934 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.83 -36.2 21.77 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.47 0.577 . . . . 0.0 111.633 169.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -69.19 -38.07 78.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.73 0.812 . . . . 0.0 112.38 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -63.91 -24.93 67.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -20.5 53.21 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -96.37 -21.5 17.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.016 1.326 . . . . 0.0 111.961 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.33 59.81 1.07 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.458 1.903 . . . . 0.0 111.248 167.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.37 -21.44 62.87 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.447 1.099 . . . . 0.0 113.48 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.67 -21.91 47.55 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.13 1.372 . . . . 0.0 112.832 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 5.35 89.7 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.801 1.667 . . . . 0.0 115.369 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -84.92 -10.74 56.78 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.988 1.315 . . . . 0.0 113.744 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 23.18 17.84 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.117 1.341 . . . . 0.0 113.499 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -129.12 149.97 50.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.731 1.612 . . . . 0.0 112.144 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 pt -117.13 160.31 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.726 1.211 . . . . 0.0 110.541 165.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 152.39 41.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -56.56 -30.71 63.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.227 1.011 . . . . 0.0 111.949 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.72 -34.81 77.6 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 113.305 173.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 -18.72 47.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.536 1.134 . . . . 0.0 112.562 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.75 -43.11 80.42 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.196 -0.94 . . . . 0.0 111.438 170.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.66 -15.3 57.35 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 118.779 -1.012 . . . . 0.0 113.675 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -95.94 -38.84 10.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.299 1.44 . . . . 0.0 111.605 172.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.45 -32.04 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 120.6 1.545 . . . . 0.0 112.074 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mmm -63.34 -39.03 93.41 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.527 0.603 . . . . 0.0 111.53 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -66.98 -40.42 87.42 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.642 0.777 . . . . 0.0 112.549 172.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -65.26 -27.77 68.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.203 1.001 . . . . 0.0 112.809 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.7 mt -89.1 2.52 53.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.552 1.541 . . . . 0.0 112.801 173.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.43 75.25 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 115.446 171.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.72 159.67 17.69 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.937 1.368 . . . . 0.0 111.766 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -134.76 69.94 71.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.119 1.368 . . . . 0.0 111.836 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.46 141.19 38.02 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.088 1.859 . . . . 0.0 109.538 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m -75.48 161.96 28.74 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 165.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -32.01 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.25 74.62 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.076 -1.015 . . . . 0.0 113.486 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.95 -38.27 79.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.243 0.929 . . . . 0.0 111.098 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 tp -64.92 -45.34 86.26 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.953 0.901 . . . . 0.0 110.782 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.27 -41.01 96.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.335 0.654 . . . . 0.0 111.67 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.25 -41.33 98.34 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 ptp -71.32 -32.87 69.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.894 0.77 . . . . 0.0 111.85 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.46 -53.89 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.226 1.01 . . . . 0.0 110.287 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -52.43 -32.92 41.62 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.546 1.066 . . . . 0.0 112.988 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.16 -18.02 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.322 1.049 . . . . 0.0 113.564 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.68 -27.47 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -96.54 24.58 5.79 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.911 1.684 . . . . 0.0 112.523 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.86 65.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.339 1.455 . . . . 0.0 113.892 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -82.72 -9.35 59.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.816 1.646 . . . . 0.0 113.184 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.97 26.99 47.31 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.174 1.368 . . . . 0.0 114.789 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -72.82 -30.07 63.75 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.467 1.134 . . . . 0.0 113.651 -174.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.71 6.4 89.4 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.181 1.372 . . . . 0.0 113.78 -174.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -140.08 158.17 44.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.43 1.892 . . . . 0.0 111.234 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.79 124.01 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.763 1.625 . . . . 0.0 108.663 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.29 153.23 36.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.902 1.281 . . . . 0.0 111.574 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -49.23 -49.71 68.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.582 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.34 -28.33 63.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.058 1.839 . . . . 0.0 114.098 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.45 -40.99 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.676 1.125 . . . . 0.0 111.007 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -58.49 -44.09 89.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.897 0.879 . . . . 0.0 111.451 170.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.27 -34.06 77.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.337 -0.852 . . . . 0.0 112.288 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -45.35 82.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.434 1.094 . . . . 0.0 111.663 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ptp -62.92 -29.99 71.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.933 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 71.2 mtp -73.77 -48.77 29.24 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.109 0.563 . . . . 0.0 111.046 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 124.492 1.117 . . . . 0.0 113.884 -177.731 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.74 -33.74 76.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.911 0.884 . . . . 0.0 112.158 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.79 -41.34 78.88 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 111.012 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.57 -40.06 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.502 0.721 . . . . 0.0 110.427 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -62.36 -40.16 95.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.097 0.959 . . . . 0.0 112.405 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.52 -35.82 80.6 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.815 0.734 . . . . 0.0 111.988 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.88 89.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.196 0.598 . . . . 0.0 112.149 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.39 -34.61 74.78 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -60.8 -34.99 75.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.8 -19.93 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -85.61 -11.85 52.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 113.005 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -83.94 123.71 30.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.181 0.992 . . . . 0.0 109.71 170.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -71.1 -16.2 62.55 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.5 -19.93 3.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.441 1.496 . . . . 0.0 114.004 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.59 24.27 47.1 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.653 1.12 . . . . 0.0 112.746 -168.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.01 -24.74 60.78 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.46 1.504 . . . . 0.0 114.372 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.45 44.32 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.61 1.576 . . . . 0.0 113.651 -174.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.06 142.05 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.931 1.293 . . . . 0.0 113.847 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.47 160.03 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.517 1.927 . . . . 0.0 110.292 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -73.66 147.12 44.0 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.766 -1.209 . . . . 0.0 111.893 173.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.79 81.48 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.889 -1.132 . . . . 0.0 112.427 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.25 66.09 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.282 -0.886 . . . . 0.0 111.48 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.97 -46.03 90.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.947 1.299 . . . . 0.0 111.153 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.3 -46.22 90.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.775 0.83 . . . . 0.0 111.346 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -60.44 -39.62 88.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.119 0.568 . . . . 0.0 112.026 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.5 -52.66 20.33 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.571 0.748 . . . . 0.0 112.248 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.78 -27.29 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.249 0.931 . . . . 0.0 112.739 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.2 mmt -77.95 -27.24 49.24 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.1 p -91.83 -33.79 14.81 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.309 0.959 . . . . 0.0 112.255 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -82.28 -49.22 10.3 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.07 142.43 32.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.719 0.807 . . . . 0.0 112.254 -172.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.02 -146.28 39.44 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.867 1.223 . . . . 0.0 112.445 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.39 155.27 32.99 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.255 0.55 . . . . 0.0 110.449 163.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.77 126.58 33.54 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.674 -1.266 . . . . 0.0 112.521 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.37 142.04 33.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.788 1.235 . . . . 0.0 108.635 163.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.1 p -82.3 163.98 21.43 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.835 0.826 . . . . 0.0 112.912 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.8 -42.46 93.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.648 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.74 -20.39 63.51 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -86.68 -54.21 4.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.895 1.278 . . . . 0.0 110.125 172.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.94 -33.48 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.333 -0.854 . . . . 0.0 112.305 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.42 -30.98 70.0 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.715 1.143 . . . . 0.0 111.993 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.18 -41.59 73.53 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.45 0.7 . . . . 0.0 110.737 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.5 ttm -58.42 -48.53 80.37 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.708 0.803 . . . . 0.0 111.2 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.88 -39.85 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.594 0.757 . . . . 0.0 111.386 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -60.38 -45.44 93.52 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.296 0.953 . . . . 0.0 111.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -77.21 -21.62 53.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.76 44.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.818 0.847 . . . . 0.0 112.298 171.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 125.099 1.359 . . . . 0.0 113.551 -174.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -81.23 137.56 35.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.644 0.778 . . . . 0.0 109.114 155.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -88.18 123.9 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.924 1.69 . . . . 0.0 109.478 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -77.86 90.36 4.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 164.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -66.07 -26.89 67.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.07 -42.96 93.68 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.322 1.049 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -75.51 -29.52 59.52 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.225 1.01 . . . . 0.0 112.56 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.75 -39.6 91.23 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.185 -0.947 . . . . 0.0 112.94 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.44 -38.38 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.464 -0.773 . . . . 0.0 111.456 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -67.25 -21.37 65.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.0 mtm -84.57 -39.14 19.1 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.268 1.027 . . . . 0.0 112.192 168.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.4 ttm -63.73 -35.31 80.15 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 113.246 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.29 -35.07 75.63 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.72 0.808 . . . . 0.0 112.785 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.2 m -93.26 -29.03 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.821 0.849 . . . . 0.0 112.147 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 70.7 m -59.36 -39.93 84.85 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.083 -1.011 . . . . 0.0 111.606 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.51 78.54 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.084 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.0 mtm -65.83 -30.35 70.96 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.3 t -63.73 -45.36 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.195 0.907 . . . . 0.0 110.732 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.13 -41.43 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.759 -0.588 . . . . 0.0 111.09 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.65 -46.16 77.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 111.582 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -60.09 -47.62 85.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.082 0.953 . . . . 0.0 111.697 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.94 94.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.994 0.518 . . . . 0.0 111.723 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.55 -43.66 93.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.527 0.731 . . . . 0.0 112.424 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.36 -41.93 98.86 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.433 -0.792 . . . . 0.0 112.024 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.179 0.992 . . . . 0.0 112.365 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.94 -45.79 92.17 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.127 0.971 . . . . 0.0 113.143 170.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 124.823 1.249 . . . . 0.0 113.322 179.376 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 p -82.54 163.43 21.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.822 1.249 . . . . 0.0 111.433 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.96 -34.33 73.13 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -25.71 50.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.07 -48.21 53.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.933 0.788 . . . . 0.0 110.137 167.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -55.97 -44.59 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.528 1.131 . . . . 0.0 110.933 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.46 71.34 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.72 -44.38 20.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.609 1.164 . . . . 0.0 111.192 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.08 -28.76 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.146 -0.971 . . . . 0.0 112.659 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.97 -38.68 76.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.314 1.045 . . . . 0.0 112.781 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -65.38 -40.49 93.56 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.578 0.751 . . . . 0.0 111.883 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.81 -43.11 63.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.341 0.656 . . . . 0.0 112.229 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.58 -39.57 93.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.245 1.018 . . . . 0.0 112.106 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -66.24 -22.05 66.31 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -27.92 64.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.534 1.061 . . . . 0.0 111.813 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -95.45 -5.06 43.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.148 1.779 . . . . 0.0 113.436 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.8 68.09 3.8 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.197 1.799 . . . . 0.0 110.971 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -65.51 -23.14 66.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.699 1.6 . . . . 0.0 114.978 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.69 -18.58 24.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.849 1.26 . . . . 0.0 113.282 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.02 90.38 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.267 1.413 . . . . 0.0 114.777 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -7.3 53.34 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.286 1.434 . . . . 0.0 113.683 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.18 28.08 9.54 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.986 1.279 . . . . 0.0 113.783 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 p -130.9 137.24 49.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.474 1.51 . . . . 0.0 111.477 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.64 159.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.012 0.925 . . . . 0.0 110.823 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -73.7 150.78 41.01 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -60.57 -37.95 83.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.174 0.99 . . . . 0.0 112.434 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.59 -25.92 67.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.34 -11.78 59.93 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.523 1.129 . . . . 0.0 112.836 175.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.38 -44.3 92.78 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 121.134 -0.979 . . . . 0.0 110.947 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -21.81 63.7 Favored Glycine 0 N--CA 1.471 1.02 0 C-N-CA 123.854 0.74 . . . . 0.0 113.0 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -83.36 -47.26 11.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.2 1.4 . . . . 0.0 111.313 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.62 -28.96 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.888 1.222 . . . . 0.0 111.884 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -53.42 -52.44 59.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.77 1.228 . . . . 0.0 110.851 166.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -72.41 -29.38 63.68 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.055 0.942 . . . . 0.0 113.346 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -63.44 -23.42 67.39 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.464 1.029 . . . . 0.0 113.12 167.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.91 15.89 27.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.885 1.674 . . . . 0.0 112.538 173.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.47 86.66 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.07 1.319 . . . . 0.0 115.734 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -89.74 130.92 35.93 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.907 1.283 . . . . 0.0 109.869 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -125.83 68.57 62.83 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.082 0.953 . . . . 0.0 112.231 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.67 152.51 42.63 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.604 2.87 . . . . 0.0 110.93 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -67.15 168.0 11.07 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 122.281 -0.262 . . . . 0.0 110.98 166.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.68 -36.49 72.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.497 -0.752 . . . . 0.0 111.613 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.46 67.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.194 0.997 . . . . 0.0 112.467 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.21 -34.38 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.081 0.855 . . . . 0.0 111.805 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -68.72 -47.73 65.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.695 0.798 . . . . 0.0 110.834 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.62 -36.57 78.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.751 0.82 . . . . 0.0 111.622 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.04 -34.51 77.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.137 0.975 . . . . 0.0 113.132 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.4 mtm -76.88 -41.16 44.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.54 -59.01 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.558 1.143 . . . . 0.0 110.892 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.95 -18.15 63.35 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.95 -45.52 67.26 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.31 1.044 . . . . 0.0 111.287 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.2 -33.19 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -107.62 56.07 0.64 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.41 1.484 . . . . 0.0 111.023 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.98 -22.95 66.5 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.265 1.026 . . . . 0.0 113.742 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.16 -15.35 44.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.325 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.38 41.1 9.42 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.471 1.034 . . . . 0.0 114.066 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -69.51 -26.72 64.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.669 1.188 . . . . 0.0 113.211 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 10.31 79.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.107 1.337 . . . . 0.0 113.217 -171.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -139.01 157.63 45.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.871 1.669 . . . . 0.0 112.314 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.52 134.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.081 1.752 . . . . 0.0 109.459 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.11 151.14 20.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.28 1.432 . . . . 0.0 111.513 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -52.89 -49.35 87.49 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.01 -25.42 51.75 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.084 1.856 . . . . 0.0 113.676 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -73.9 -42.96 59.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.633 1.106 . . . . 0.0 111.094 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.29 -42.5 91.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.614 1.166 . . . . 0.0 111.885 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.92 -34.31 77.83 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.78 -47.09 76.32 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.364 1.066 . . . . 0.0 111.5 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -63.81 -29.57 70.76 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.5 mmm -74.95 -41.31 59.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.099 0.96 . . . . 0.0 112.101 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 125.24 1.416 . . . . 0.0 112.484 178.882 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 N--CA 1.47 0.525 0 CA-C-O 119.048 -0.501 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -67.53 -35.62 79.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.719 0.691 . . . . 0.0 112.007 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.69 -43.68 65.53 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.221 1.008 . . . . 0.0 109.982 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.18 -43.81 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.325 1.05 . . . . 0.0 110.324 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -61.46 -46.25 90.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.978 0.911 . . . . 0.0 112.254 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -33.85 76.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.97 0.908 . . . . 0.0 112.604 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.394 -0.816 . . . . 0.0 111.876 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.22 -39.74 89.82 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 170.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.7 -35.98 81.47 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.802 0.841 . . . . 0.0 112.738 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.0 t -58.87 -30.65 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.004 0.922 . . . . 0.0 112.291 171.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.87 -11.47 39.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -71.44 136.41 47.65 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.618 1.167 . . . . 0.0 110.53 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -79.13 -11.41 59.98 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -147.86 -11.83 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.92 21.32 50.7 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.867 1.222 . . . . 0.0 112.469 -168.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -14.47 60.1 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -171.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.65 8.83 56.98 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.221 1.391 . . . . 0.0 114.708 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -136.83 146.23 45.38 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.4 158.65 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.797 2.039 . . . . 0.0 109.968 174.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -74.13 144.04 45.07 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.761 -1.212 . . . . 0.0 111.987 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.48 96.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 0.0 112.705 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.29 77.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.619 -0.675 . . . . 0.0 111.678 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.27 -40.88 81.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.917 0.887 . . . . 0.0 111.618 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.51 -48.65 80.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.987 0.915 . . . . 0.0 110.923 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -53.8 -46.7 71.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.327 0.651 . . . . 0.0 111.856 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.32 -48.59 64.49 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.359 -0.838 . . . . 0.0 113.007 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -20.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.928 -1.108 . . . . 0.0 112.459 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -12.1 51.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.658 1.583 . . . . 0.0 114.89 171.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.8 p -120.31 -13.7 8.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.401 1.455 . . . . 0.0 114.616 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.35 -5.73 23.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -132.08 161.12 34.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.773 2.029 . . . . 0.0 110.934 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.26 -144.37 49.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.436 1.017 . . . . 0.0 114.623 166.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.16 112.9 24.55 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.626 1.57 . . . . 0.0 109.957 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -69.6 156.77 38.41 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -168.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.27 166.96 23.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 110.942 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -80.22 163.14 24.25 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.012 1.325 . . . . 0.0 113.602 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.97 -35.45 64.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 113.843 -1.526 . . . . 0.0 111.796 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.14 -43.33 71.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.037 0.935 . . . . 0.0 111.569 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -68.61 -36.14 78.27 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.659 1.118 . . . . 0.0 112.298 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.6 m -70.44 -32.85 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 120.899 1.682 . . . . 0.0 112.628 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.83 -39.84 91.22 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.756 1.162 . . . . 0.0 111.399 174.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -60.6 -50.33 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.9 0.88 . . . . 0.0 111.095 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttm -57.82 -53.05 62.54 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.313 1.045 . . . . 0.0 111.844 -176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.85 -37.37 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.229 0.468 . . . . 0.0 111.634 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -62.16 -42.14 98.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.486 0.584 . . . . 0.0 111.805 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -79.94 -21.96 43.24 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 113.666 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.39 -51.37 6.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.589 1.156 . . . . 0.0 113.446 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 124.776 1.23 . . . . 0.0 111.973 -178.184 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.664 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.14 128.85 47.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.445 1.122 . . . . 0.0 109.719 171.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.37 121.98 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.748 1.619 . . . . 0.0 108.589 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.22 92.31 3.27 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 161.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -70.55 -24.36 62.78 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.432 -0.792 . . . . 0.0 112.523 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.41 -41.44 97.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.023 0.929 . . . . 0.0 111.894 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.35 -43.04 64.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.722 0.809 . . . . 0.0 111.82 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -61.43 -24.48 66.57 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.95 -38.81 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 118.921 0.782 . . . . 0.0 112.007 166.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -88.74 -23.17 22.99 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.415 0.686 . . . . 0.0 112.825 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.6 86.94 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.932 -1.105 . . . . 0.0 111.561 167.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.2 ptp -85.47 -5.44 59.29 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.79 1.177 . . . . 0.0 111.854 164.298 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.723 0.297 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.36 -45.59 75.88 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.254 1.022 . . . . 0.0 111.677 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.1 m -70.93 -29.48 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.483 0.583 . . . . 0.0 112.283 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -66.01 -48.73 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.304 0.956 . . . . 0.0 111.68 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.77 61.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.739 0.816 . . . . 0.0 112.333 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.02 -24.83 67.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.1 t -78.68 -33.8 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.472 1.033 . . . . 0.0 111.052 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 49.2 mt -75.02 -42.48 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.184 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -63.59 -41.28 98.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.787 0.835 . . . . 0.0 112.118 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 7.8 ptm85 -69.62 -36.51 76.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.436 1.016 . . . . 0.0 112.299 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -70.12 -37.19 75.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.768 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 46.9 t80 -72.38 -41.75 66.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.68 -0.637 . . . . 0.0 112.135 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -59.93 -43.4 94.96 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.94 0.791 . . . . 0.0 111.269 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -57.09 -48.98 77.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 111.072 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.44 -46.06 84.01 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.228 0.922 . . . . 0.0 113.14 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.475 0.813 0 CA-C-N 119.358 0.981 . . . . 0.0 112.283 177.113 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -88.18 158.32 18.56 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.788 1.235 . . . . 0.0 110.794 167.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.79 -31.88 72.12 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.636 -0.665 . . . . 0.0 112.325 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.54 -29.24 62.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.465 0.706 . . . . 0.0 112.817 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -73.95 -43.01 59.65 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.327 0.967 . . . . 0.0 111.012 170.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.4 mt -54.73 -39.51 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 0.0 111.135 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.04 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -79.61 -45.21 19.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.743 0.817 . . . . 0.0 111.289 175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.56 -28.41 67.77 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.528 -0.733 . . . . 0.0 112.746 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.96 -38.58 76.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.303 1.041 . . . . 0.0 112.482 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.74 -42.43 86.25 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.568 0.747 . . . . 0.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -43.62 73.24 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.405 -0.809 . . . . 0.0 112.204 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.68 -35.16 80.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.577 0.751 . . . . 0.0 112.62 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -62.73 -31.66 72.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.81 -25.53 62.91 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.856 -1.153 . . . . 0.0 112.466 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 -13.63 31.47 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.209 1.404 . . . . 0.0 113.204 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -75.61 77.43 2.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.537 1.535 . . . . 0.0 110.477 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -72.42 -17.15 61.82 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.473 1.509 . . . . 0.0 114.223 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.03 -20.87 19.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.055 1.342 . . . . 0.0 112.915 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.91 13.26 79.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.282 1.42 . . . . 0.0 114.536 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -98.18 -2.96 38.62 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.376 1.47 . . . . 0.0 113.809 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.04 19.15 52.06 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.527 1.061 . . . . 0.0 114.279 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.2 p -124.19 162.11 24.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.003 1.721 . . . . 0.0 111.766 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 pt -125.71 161.34 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.824 1.249 . . . . 0.0 110.848 164.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -69.21 147.78 50.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 p -57.86 -36.56 72.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.122 0.969 . . . . 0.0 112.757 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.7 -23.77 65.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.505 1.122 . . . . 0.0 113.437 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.78 -9.47 59.33 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.606 1.562 . . . . 0.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.79 -45.38 92.49 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 120.931 -1.105 . . . . 0.0 112.039 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.22 66.11 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.358 0.504 . . . . 0.0 112.398 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -75.04 -42.6 56.82 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.584 1.153 . . . . 0.0 111.489 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.62 -29.61 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.99 1.268 . . . . 0.0 111.916 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -57.56 -53.49 57.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.749 0.82 . . . . 0.0 110.838 166.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -60.1 -40.99 91.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.803 1.241 . . . . 0.0 112.323 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -62.97 -36.23 82.79 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.613 0.765 . . . . 0.0 113.031 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.46 -4.01 56.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.296 1.438 . . . . 0.0 113.726 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.69 14.21 80.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.602 1.096 . . . . 0.0 114.379 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.39 147.32 32.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.735 1.214 . . . . 0.0 110.37 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.96 64.29 14.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.073 0.949 . . . . 0.0 112.747 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.86 157.44 55.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.538 2.825 . . . . 0.0 110.792 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -68.48 149.19 49.57 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 0.0 109.606 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.31 -42.87 92.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.941 0.896 . . . . 0.0 112.602 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.09 73.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -71.72 -42.25 67.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.615 0.766 . . . . 0.0 110.88 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.22 -40.51 90.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.447 1.099 . . . . 0.0 111.439 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -62.68 -38.29 89.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.531 0.733 . . . . 0.0 111.466 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.02 -29.82 69.75 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.6 mtt -67.81 -41.39 83.16 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.183 0.901 . . . . 0.0 110.514 172.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.4 -48.18 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.773 0.829 . . . . 0.0 110.084 173.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -60.03 -34.4 73.33 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -67.32 -44.39 79.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.832 0.853 . . . . 0.0 111.607 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.86 -31.06 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -103.31 31.16 4.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.766 1.626 . . . . 0.0 112.512 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.02 -26.23 64.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.381 1.073 . . . . 0.0 113.821 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.55 -8.22 58.99 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.284 1.434 . . . . 0.0 113.52 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.54 54.64 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.697 1.141 . . . . 0.0 115.704 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.24 -26.07 63.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.638 1.219 . . . . 0.0 113.727 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 13.23 76.81 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.154 1.359 . . . . 0.0 113.359 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -138.41 155.84 48.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.576 1.551 . . . . 0.0 111.877 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.2 mt -120.16 128.14 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.02 1.728 . . . . 0.0 108.679 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -89.66 151.0 22.1 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.856 1.262 . . . . 0.0 111.138 173.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.76 -44.24 99.14 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.1 -35.63 97.69 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.792 2.328 . . . . 0.0 113.791 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.53 -37.06 65.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.252 1.021 . . . . 0.0 112.316 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -62.6 -40.45 96.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.904 0.881 . . . . 0.0 111.914 172.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.44 -29.79 71.02 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.4 m -65.44 -31.86 73.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 0.0 112.437 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.6 mtt -64.98 -35.07 80.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.46 0.573 . . . . 0.0 112.004 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.5 mmm -81.52 -37.68 27.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 112.149 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.684 0 C-N-CA 125.964 1.706 . . . . 0.0 114.294 -179.859 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.92 -35.79 75.64 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.385 1.074 . . . . 0.0 112.584 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -62.69 -34.83 77.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.412 0.685 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 mt -81.27 -39.32 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.2 -43.29 98.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.822 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.35 -35.63 81.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.084 0.856 . . . . 0.0 111.85 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.32 90.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 0.0 111.556 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.99 -37.33 67.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.799 -0.563 . . . . 0.0 112.38 170.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -63.86 -38.36 90.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.582 -0.723 . . . . 0.0 112.346 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.49 -20.42 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 119.795 1.179 . . . . 0.0 113.706 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -86.87 -8.79 56.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -86.19 108.14 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -82.03 -8.11 59.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 113.73 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.39 -26.95 6.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.909 1.284 . . . . 0.0 114.161 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.3 48.18 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.35 1.452 . . . . 0.0 113.326 -173.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.22 -18.17 60.18 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.25 1.42 . . . . 0.0 114.405 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.58 12.17 65.04 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.974 1.273 . . . . 0.0 113.439 -172.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.89 152.43 46.42 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.842 1.657 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.1 pt -131.11 153.96 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.055 1.742 . . . . 0.0 108.911 170.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.3 p -77.77 150.93 34.27 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.456 -1.403 . . . . 0.0 112.053 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.96 -32.51 72.96 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.143 -0.973 . . . . 0.0 111.964 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.29 82.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.306 1.043 . . . . 0.0 111.773 172.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.86 -49.17 77.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.699 0.8 . . . . 0.0 110.845 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -46.52 87.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.881 0.764 . . . . 0.0 112.222 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -60.28 -42.97 96.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.539 0.735 . . . . 0.0 111.021 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.6 -51.65 26.84 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.35 -31.51 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.488 1.04 . . . . 0.0 111.655 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.4 mmt -81.54 -18.41 45.08 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.1 p -95.57 -24.11 16.76 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.759 1.163 . . . . 0.0 112.264 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -85.49 -33.22 21.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.451 1.101 . . . . 0.0 113.522 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.36 162.57 21.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.614 1.566 . . . . 0.0 113.127 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.11 -134.06 13.81 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.357 1.456 . . . . 0.0 112.308 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.31 1.2 57.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.705 1.202 . . . . 0.0 113.246 174.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.6 mttt 59.05 58.45 3.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.283 1.433 . . . . 0.0 112.952 161.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.24 164.84 4.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.501 1.521 . . . . 0.0 114.475 -175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 m -62.84 153.95 31.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.189 1.796 . . . . 0.0 112.71 -168.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.93 -32.51 70.85 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.351 1.06 . . . . 0.0 112.516 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.9 -32.75 69.79 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.359 1.063 . . . . 0.0 112.694 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.59 -48.99 28.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.128 0.971 . . . . 0.0 110.205 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.52 -31.06 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.478 1.035 . . . . 0.0 112.909 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.49 -42.74 99.7 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 120.472 1.487 . . . . 0.0 111.295 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -65.3 -39.04 91.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.72 0.808 . . . . 0.0 112.016 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.9 ttm -60.66 -37.41 81.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.82 0.848 . . . . 0.0 112.046 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -75.03 -42.83 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.778 -0.576 . . . . 0.0 111.787 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -56.33 -40.39 74.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.54 1.136 . . . . 0.0 113.36 -171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.82 -14.98 61.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.21 -43.98 5.82 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.801 1.241 . . . . 0.0 112.884 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 125.492 1.517 . . . . 0.0 113.821 -172.029 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 CA-C-O 119.167 -0.796 . . . . 0.0 114.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -107.93 118.14 35.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.193 1.497 . . . . 0.0 109.015 169.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.69 114.61 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.498 1.119 . . . . 0.0 109.377 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.16 75.45 1.27 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.945 1.698 . . . . 0.0 109.859 165.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -58.71 -31.42 68.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -170.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.4 -42.62 99.02 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.355 0.662 . . . . 0.0 111.213 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.79 -32.88 60.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 111.808 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -61.37 -39.11 89.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.62 0.768 . . . . 0.0 112.289 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.54 -38.47 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 118.381 -0.818 . . . . 0.0 111.33 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -67.72 -29.35 68.58 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.251 0.932 . . . . 0.0 112.525 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.6 mtm -81.0 -34.17 33.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.311 1.044 . . . . 0.0 111.748 174.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.5 ttp -71.44 -44.19 65.29 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.542 1.137 . . . . 0.0 112.674 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 123.749 0.82 . . . . 0.0 111.619 173.238 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.86 -46.89 67.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.941 0.896 . . . . 0.0 111.632 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -69.51 -32.45 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.0 0.818 . . . . 0.0 111.962 175.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.9 m -62.4 -45.99 90.61 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.637 -0.665 . . . . 0.0 111.58 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.71 78.05 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.986 0.514 . . . . 0.0 111.317 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.17 -37.15 84.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 49.4 t -65.27 -42.19 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 119.358 0.981 . . . . 0.0 110.987 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 58.8 mt -70.77 -40.89 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.549 0.613 . . . . 0.0 111.319 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.61 -39.03 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.9 0.88 . . . . 0.0 111.637 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -60.11 -49.72 76.53 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.956 0.902 . . . . 0.0 111.433 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.41 99.12 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.671 0.789 . . . . 0.0 111.988 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.55 -42.94 73.93 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.46 0.704 . . . . 0.0 112.668 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.76 -39.71 94.99 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.285 -0.885 . . . . 0.0 112.163 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.31 -41.82 93.65 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.448 0.699 . . . . 0.0 112.17 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -56.88 -45.04 82.79 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.781 0.833 . . . . 0.0 112.26 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.472 0.643 0 CA-C-N 119.082 0.855 . . . . 0.0 112.901 174.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.4 mt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.328 0.585 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.17 165.94 20.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.344 2.258 . . . . 0.0 110.474 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.6 -37.94 59.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.853 1.261 . . . . 0.0 113.373 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -21.38 61.93 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -86.37 -43.52 12.79 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.406 -0.809 . . . . 0.0 110.425 169.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.2 mt -56.24 -36.46 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.427 1.491 . . . . 0.0 111.706 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.32 67.3 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.87 -43.04 15.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.816 1.246 . . . . 0.0 111.38 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.0 -30.18 70.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.798 0.839 . . . . 0.0 112.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.3 tppt? -54.72 -42.63 71.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.338 1.055 . . . . 0.0 112.635 169.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.69 -39.66 94.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.762 0.825 . . . . 0.0 112.06 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -44.49 55.7 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.838 -0.539 . . . . 0.0 111.978 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -40.5 93.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.62 0.768 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -64.57 -22.29 66.93 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -20.3 45.22 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 112.913 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.12 -13.03 23.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.535 1.534 . . . . 0.0 112.83 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.65 60.98 0.94 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.759 1.624 . . . . 0.0 110.704 164.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -71.08 -21.13 62.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.28 1.432 . . . . 0.0 113.519 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -82.16 -19.45 39.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.889 1.276 . . . . 0.0 112.978 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.39 7.73 87.21 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.395 1.474 . . . . 0.0 115.039 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -91.95 -12.85 32.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.226 1.41 . . . . 0.0 113.954 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.62 9.09 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.324 1.44 . . . . 0.0 114.522 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.24 148.51 52.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.283 1.433 . . . . 0.0 112.119 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 pt -110.12 165.21 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.991 1.317 . . . . 0.0 110.235 166.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -78.54 161.8 26.77 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.496 -0.753 . . . . 0.0 111.61 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -63.59 -27.36 69.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.2 166.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.15 -43.24 71.28 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.987 1.315 . . . . 0.0 112.193 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.62 -5.66 59.25 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 tp -50.22 -54.19 22.82 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.105 -0.997 . . . . 0.0 112.393 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.75 -27.24 68.03 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.973 -0.348 . . . . 0.0 112.336 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -71.34 -38.46 71.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.086 1.355 . . . . 0.0 111.289 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.39 -45.14 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.147 1.34 . . . . 0.0 110.395 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mtp -67.89 -38.0 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.433 0.693 . . . . 0.0 111.813 -176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -69.67 -34.01 73.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.015 0.926 . . . . 0.0 112.516 172.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.4 m -68.98 -24.4 64.23 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.92 -2.69 44.86 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.546 1.539 . . . . 0.0 113.114 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.93 4.06 75.74 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 125.068 1.318 . . . . 0.0 115.458 171.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -98.19 169.3 9.68 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.672 1.236 . . . . 0.0 111.066 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -143.47 83.0 11.1 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.849 0.86 . . . . 0.0 111.69 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.11 155.99 68.3 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.985 2.457 . . . . 0.0 110.324 168.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -71.72 164.96 24.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.369 0.668 . . . . 0.0 111.731 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.27 -36.51 71.1 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.758 0.823 . . . . 0.0 111.418 169.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.99 79.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.306 1.042 . . . . 0.0 112.176 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.77 -45.38 90.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.62 0.645 . . . . 0.0 111.12 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 mt -59.92 -49.24 78.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.049 0.54 . . . . 0.0 111.271 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.37 -42.43 95.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.009 0.523 . . . . 0.0 111.919 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.72 -36.17 80.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.42 -33.7 69.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.172 0.896 . . . . 0.0 111.103 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.21 -54.83 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 108.88 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.8 -27.28 50.32 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.19 -28.79 64.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.346 1.059 . . . . 0.0 113.069 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.37 -27.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -96.41 20.13 11.02 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.716 1.606 . . . . 0.0 112.864 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -24.59 66.36 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.13 0.972 . . . . 0.0 113.447 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -84.52 -7.82 59.14 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.991 1.317 . . . . 0.0 113.503 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 26.92 46.28 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.012 1.291 . . . . 0.0 114.928 171.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -73.15 -31.57 64.34 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.6 -0.23 86.04 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.705 1.621 . . . . 0.0 114.185 -173.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -135.2 158.94 43.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.739 2.016 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.12 128.32 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.476 1.911 . . . . 0.0 108.218 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.96 158.62 17.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.768 1.227 . . . . 0.0 111.005 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 29.4 t80 -53.84 -43.17 95.97 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -173.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.86 -34.34 82.35 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.962 2.441 . . . . 0.0 113.613 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.97 -42.28 69.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.272 1.029 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.95 -41.03 97.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.284 1.434 . . . . 0.0 111.647 172.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.08 -32.03 72.06 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.374 -0.829 . . . . 0.0 112.563 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -64.78 -47.73 77.08 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.67 1.123 . . . . 0.0 111.006 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.5 ptp -65.57 -26.16 67.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.3 mmm -76.13 -45.7 32.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.39 1.076 . . . . 0.0 111.966 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 124.99 1.316 . . . . 0.0 112.786 -179.826 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -33.63 76.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.916 1.286 . . . . 0.0 112.834 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.73 -42.02 74.53 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.192 -0.942 . . . . 0.0 110.26 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.76 -37.84 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.749 1.22 . . . . 0.0 110.429 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.61 -50.3 45.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.462 1.105 . . . . 0.0 112.971 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.3 -30.56 70.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.387 1.075 . . . . 0.0 112.284 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.91 67.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.0 -29.0 55.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.847 -1.158 . . . . 0.0 113.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.14 -24.9 67.86 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 m -78.91 -31.78 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.268 0.94 . . . . 0.0 113.359 173.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -81.24 -21.79 39.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.994 0.815 . . . . 0.0 112.597 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -84.55 95.73 8.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.818 1.247 . . . . 0.0 110.147 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.74 -12.11 60.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -100.81 -24.67 14.33 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.118 1.367 . . . . 0.0 113.133 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.64 84.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.939 1.256 . . . . 0.0 113.41 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -72.29 -18.5 61.79 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.872 1.669 . . . . 0.0 115.171 -169.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.49 9.83 49.28 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.53 1.062 . . . . 0.0 113.955 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -137.61 150.49 47.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.576 1.55 . . . . 0.0 113.397 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.7 161.24 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.362 1.465 . . . . 0.0 110.024 171.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.9 t -73.97 144.37 45.25 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.487 -1.383 . . . . 0.0 111.215 168.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.57 63.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.311 -0.868 . . . . 0.0 112.533 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.77 65.46 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.081 -1.012 . . . . 0.0 113.189 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.79 -35.08 74.57 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.585 -0.697 . . . . 0.0 111.178 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.76 -44.21 97.02 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.893 0.77 . . . . 0.0 111.088 170.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -65.41 -29.53 70.23 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -76.11 -47.85 22.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.101 -1.0 . . . . 0.0 112.28 173.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.59 -52.67 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.81 1.244 . . . . 0.0 111.92 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -74.27 -14.42 60.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -162.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -119.7 31.73 6.41 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.171 1.788 . . . . 0.0 111.931 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -151.72 -45.06 0.11 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.196 0.999 . . . . 0.0 113.227 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.9 mt -89.97 144.5 25.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.893 1.277 . . . . 0.0 111.058 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.35 -154.18 48.07 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.334 0.968 . . . . 0.0 113.513 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -76.86 134.94 38.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.306 0.642 . . . . 0.0 109.755 162.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -93.57 158.19 15.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.546 1.139 . . . . 0.0 112.41 -172.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -107.12 179.12 4.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.761 1.224 . . . . 0.0 111.827 163.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.0 p -78.28 163.96 25.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.69 -29.79 68.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.254 1.422 . . . . 0.0 112.542 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.91 -47.45 37.74 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.363 1.065 . . . . 0.0 111.19 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -74.82 -34.46 62.37 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.663 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.28 -32.62 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 120.6 1.546 . . . . 0.0 111.535 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.42 -41.73 55.26 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.519 -0.738 . . . . 0.0 111.61 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.85 -39.51 81.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 111.423 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.72 -41.13 76.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.03 0.932 . . . . 0.0 111.452 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.3 mt -79.24 -34.09 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.056 0.942 . . . . 0.0 111.636 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.261 1.025 . . . . 0.0 110.994 173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.84 -29.34 40.11 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.436 1.094 . . . . 0.0 113.065 171.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.23 -40.76 23.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.577 1.535 . . . . 0.0 113.357 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.757 -170.741 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.383 0 CA-C-O 120.495 -0.058 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -91.92 120.78 32.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.039 1.335 . . . . 0.0 108.607 170.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.6 t -79.85 122.16 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.756 1.622 . . . . 0.0 109.967 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -79.0 84.35 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.083 0.953 . . . . 0.0 109.17 168.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -66.78 -21.4 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -57.86 -40.59 80.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.213 1.005 . . . . 0.0 111.226 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.58 -36.67 51.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.318 1.047 . . . . 0.0 111.85 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -66.02 -32.3 73.69 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.96 -50.95 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.515 1.126 . . . . 0.0 110.265 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -70.07 -41.71 73.76 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.343 0.657 . . . . 0.0 111.063 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttm -52.16 -43.02 63.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.87 1.268 . . . . 0.0 112.197 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.6 mtm -73.37 -45.43 55.01 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -163.257 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.4 -49.58 53.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.868 0.758 . . . . 0.0 111.728 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.2 m -72.96 -28.31 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.117 0.871 . . . . 0.0 112.613 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 62.9 m -63.82 -43.53 95.97 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.885 0.874 . . . . 0.0 111.935 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.24 75.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.02 0.528 . . . . 0.0 111.885 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 44.6 mtt -57.98 -48.87 78.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.993 0.917 . . . . 0.0 112.25 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.7 t -66.34 -37.15 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.834 0.854 . . . . 0.0 110.968 -172.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 77.1 mt -69.28 -50.7 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.279 0.49 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -69.5 -24.07 63.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.01 0.823 . . . . 0.0 112.728 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -75.9 -31.39 59.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.629 1.104 . . . . 0.0 112.172 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -67.97 -43.84 78.08 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.025 -1.047 . . . . 0.0 110.764 167.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 45.3 t80 -63.64 -42.31 98.15 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -55.96 -45.96 78.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.397 1.079 . . . . 0.0 112.339 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -70.54 -36.07 73.49 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.734 0.814 . . . . 0.0 112.521 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.62 -42.62 97.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.542 -0.724 . . . . 0.0 111.998 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.417 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -110.57 162.85 14.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.03 1.332 . . . . 0.0 111.982 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.47 -34.07 74.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.234 1.013 . . . . 0.0 112.894 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.52 -25.45 50.27 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.9 -42.35 66.84 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.947 0.794 . . . . 0.0 110.93 171.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.78 -36.04 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.171 0.989 . . . . 0.0 111.811 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.44 75.64 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.82 0.848 . . . . 0.0 113.07 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.87 -38.26 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.279 1.032 . . . . 0.0 112.04 175.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.87 -27.8 69.11 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.605 -0.684 . . . . 0.0 112.014 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -64.67 -39.63 94.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.928 0.891 . . . . 0.0 112.692 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.01 -42.38 80.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.439 0.696 . . . . 0.0 111.423 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.58 96.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.58 -38.88 91.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.389 1.075 . . . . 0.0 111.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -62.52 -34.97 77.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.223 1.009 . . . . 0.0 113.43 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.97 -18.54 60.86 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.924 -1.11 . . . . 0.0 113.623 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.7 m-85 -98.3 -10.77 23.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.216 1.406 . . . . 0.0 113.469 172.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.04 64.92 5.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.747 1.619 . . . . 0.0 109.946 161.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.97 -17.37 62.66 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -87.13 -18.59 30.1 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.143 1.377 . . . . 0.0 113.083 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 17.85 71.41 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.01 1.29 . . . . 0.0 114.461 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.39 -8.59 50.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.076 1.35 . . . . 0.0 114.061 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 17.11 35.1 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.588 1.566 . . . . 0.0 114.83 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.8 p -136.56 149.62 48.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.775 1.63 . . . . 0.0 110.719 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -99.66 159.06 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.372 0.669 . . . . 0.0 110.252 167.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.16 148.48 37.75 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 p -57.61 -33.75 68.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.15 0.98 . . . . 0.0 111.62 170.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -63.46 -28.94 70.31 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.087 1.355 . . . . 0.0 113.448 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -89.93 -17.1 28.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.052 0.941 . . . . 0.0 112.993 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -52.4 -46.48 66.29 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.083 1.311 . . . . 0.0 111.777 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.92 -8.43 34.79 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.328 -1.262 . . . . 0.0 113.967 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -99.61 -42.13 7.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.202 2.201 . . . . 0.0 111.869 168.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 19' ' ' PHE . 3.4 t -61.07 -40.48 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 119.828 1.195 . . . . 0.0 110.826 -178.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.9 mmm -60.41 -38.98 85.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.98 0.512 . . . . 0.0 111.648 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.73 -37.07 73.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.517 1.127 . . . . 0.0 112.368 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -24.96 67.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.782 0.833 . . . . 0.0 112.401 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.2 mt -98.06 9.4 42.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.384 1.874 . . . . 0.0 113.616 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.24 12.36 76.2 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.485 1.041 . . . . 0.0 114.513 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -82.04 146.8 29.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.424 1.112 . . . . 0.0 110.316 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -122.58 44.7 0.91 Allowed Pre-proline 0 CA--C 1.557 1.243 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -67.09 147.7 79.99 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.051 1.834 . . . . 0.0 111.185 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 m -74.23 158.57 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.935 0.894 . . . . 0.0 109.845 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.03 -33.57 67.33 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.333 1.053 . . . . 0.0 112.929 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.43 79.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.773 0.829 . . . . 0.0 112.958 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.97 -43.47 68.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.386 0.674 . . . . 0.0 110.635 173.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.22 -47.71 82.64 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.204 0.602 . . . . 0.0 110.865 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.95 -42.3 98.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.591 0.632 . . . . 0.0 111.91 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.75 -31.67 72.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.662 0.664 . . . . 0.0 112.625 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -78.36 -24.28 46.52 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 111.62 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.06 -49.85 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.62 -24.33 55.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.15 0.98 . . . . 0.0 113.175 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.54 -27.15 64.91 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.968 1.307 . . . . 0.0 112.847 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.64 -30.08 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -169.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.55 41.04 0.99 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 112.529 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.23 67.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.952 1.301 . . . . 0.0 113.917 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.28 -16.33 56.58 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.428 . . . . 0.0 112.871 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.61 17.33 80.17 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.696 1.141 . . . . 0.0 113.282 -175.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.91 -26.87 63.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 113.55 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.82 13.5 64.62 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.459 1.504 . . . . 0.0 114.179 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.8 p -135.35 157.68 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.118 1.367 . . . . 0.0 112.835 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.76 129.71 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.541 1.937 . . . . 0.0 109.108 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.79 155.88 18.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.144 1.378 . . . . 0.0 111.491 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.48 -50.34 80.66 Favored Pre-proline 0 CA--C 1.549 0.926 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.57 -24.65 41.7 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.277 1.985 . . . . 0.0 113.474 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -69.61 -42.38 74.45 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.198 0.908 . . . . 0.0 110.458 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.24 -40.57 96.3 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.053 1.341 . . . . 0.0 112.598 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.24 -29.01 69.17 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.927 -1.108 . . . . 0.0 112.845 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.0 m -62.34 -38.66 90.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.959 0.904 . . . . 0.0 110.981 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.1 mtt -62.18 -50.55 71.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.446 0.699 . . . . 0.0 111.056 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.4 mmm -58.86 -48.05 82.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.524 1.129 . . . . 0.0 111.94 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 124.483 1.113 . . . . 0.0 113.1 179.132 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 -26.44 57.31 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -72.62 -37.8 67.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.377 1.471 . . . . 0.0 110.945 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.13 -41.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.828 1.251 . . . . 0.0 110.95 166.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -62.49 -37.67 86.9 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.02 -38.37 76.08 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.97 0.805 . . . . 0.0 112.306 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.23 91.31 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.262 -0.899 . . . . 0.0 112.707 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -68.71 -37.54 79.57 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.692 -0.63 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -66.78 -33.95 76.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.858 0.754 . . . . 0.0 112.554 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.11 -34.8 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.052 0.941 . . . . 0.0 111.911 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -89.66 -6.62 55.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -68.16 131.14 44.87 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.636 173.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.26 -13.14 60.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -148.6 -17.05 0.32 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.94 45.47 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.964 1.269 . . . . 0.0 112.411 -167.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.53 -17.89 53.06 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.26 1.424 . . . . 0.0 114.259 -172.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.95 11.67 56.26 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.474 1.512 . . . . 0.0 113.863 -174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -138.07 151.21 47.61 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.149 1.379 . . . . 0.0 113.682 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.0 pt -132.16 169.25 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 109.158 167.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -89.44 152.23 21.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.185 1.357 . . . . 0.0 112.256 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.47 71.61 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.358 -0.839 . . . . 0.0 112.018 173.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.3 81.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.916 0.886 . . . . 0.0 111.731 171.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.44 -45.32 91.45 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.138 0.575 . . . . 0.0 111.045 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.2 -39.86 88.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.319 0.648 . . . . 0.0 112.284 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -68.97 -40.81 78.64 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.833 -0.542 . . . . 0.0 111.326 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -72.55 -44.62 61.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.783 0.833 . . . . 0.0 113.241 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.46 -32.57 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.9 -1.125 . . . . 0.0 111.928 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.93 -21.31 63.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 113.937 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.5 p -111.58 12.01 21.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.244 1.418 . . . . 0.0 112.954 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -132.99 -45.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.9 137.92 31.97 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.659 1.184 . . . . 0.0 111.094 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.09 -144.95 49.89 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.692 1.139 . . . . 0.0 113.198 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -59.26 139.51 56.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.554 0.742 . . . . 0.0 110.93 165.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -88.64 123.29 32.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.24 0.616 . . . . 0.0 110.969 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.9 142.99 41.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.196 0.999 . . . . 0.0 110.827 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.94 150.97 47.85 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.915 1.286 . . . . 0.0 111.205 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -56.81 -43.84 81.39 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.958 1.303 . . . . 0.0 112.912 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.29 -33.25 69.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.342 0.519 . . . . 0.0 112.152 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -72.3 -47.86 46.67 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.877 0.871 . . . . 0.0 110.522 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.0 -33.37 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.964 0.802 . . . . 0.0 112.042 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.37 -38.76 88.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.049 -1.032 . . . . 0.0 111.938 173.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -68.47 -38.1 80.75 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.953 0.901 . . . . 0.0 111.96 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttm -58.35 -44.48 88.79 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.886 0.875 . . . . 0.0 111.079 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.64 -39.68 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.057 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -58.33 -42.08 86.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.421 1.009 . . . . 0.0 112.002 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.95 -27.49 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.287 1.435 . . . . 0.0 112.71 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 -44.6 11.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.323 1.049 . . . . 0.0 113.232 177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 125.237 1.415 . . . . 0.0 113.958 -170.498 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.92 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.87 145.42 34.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.155 -0.615 . . . . 0.0 109.781 151.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.7 121.87 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.957 2.103 . . . . 0.0 108.534 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -76.75 96.6 4.27 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 163.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -71.07 -24.07 62.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.81 -45.17 93.85 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 110.472 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.25 -30.12 64.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.659 0.784 . . . . 0.0 112.532 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.35 -42.7 98.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.113 -0.992 . . . . 0.0 112.345 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.28 -44.26 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.729 0.695 . . . . 0.0 111.803 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.36 -22.91 61.84 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.188 0.904 . . . . 0.0 113.384 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.1 mtm -79.9 -16.0 56.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.387 0.994 . . . . 0.0 112.969 170.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.3 -46.5 8.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.079 1.352 . . . . 0.0 112.047 176.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.48 1.063 0 C-N-CA 124.79 1.236 . . . . 0.0 113.604 -178.639 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.39 -46.13 64.62 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.235 -0.916 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.0 m -72.42 -27.82 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.447 0.567 . . . . 0.0 112.359 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -61.2 -41.89 97.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.379 0.991 . . . . 0.0 111.74 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.82 76.93 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.191 -0.943 . . . . 0.0 112.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.3 mtm -73.35 -37.56 66.05 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.371 0.668 . . . . 0.0 112.526 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.89 -46.38 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.716 1.206 . . . . 0.0 111.018 173.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.53 -49.73 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.969 -0.457 . . . . 0.0 111.197 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.72 -25.3 62.88 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.268 0.94 . . . . 0.0 112.958 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -63.63 -42.38 98.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.965 1.257 . . . . 0.0 111.188 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.01 88.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.562 0.745 . . . . 0.0 111.683 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 35.9 t80 -68.3 -37.67 80.87 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.747 -0.596 . . . . 0.0 112.514 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.4 -42.77 99.25 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.1 0.96 . . . . 0.0 111.461 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.0 -37.64 88.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.04 0.936 . . . . 0.0 112.038 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.91 -48.48 76.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.457 1.103 . . . . 0.0 112.57 172.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 125.013 1.325 . . . . 0.0 112.571 -178.156 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -96.47 6.22 49.19 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.142 1.777 . . . . 0.0 112.73 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -158.23 157.8 33.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.199 1.8 . . . . 0.0 110.098 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.5 164.16 26.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.681 1.192 . . . . 0.0 113.324 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.74 160.33 33.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.821 1.648 . . . . 0.0 112.017 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.27 -35.95 76.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.587 0.755 . . . . 0.0 112.606 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.16 -24.97 63.25 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -80.11 -46.19 16.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.486 0.714 . . . . 0.0 109.901 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.14 -39.3 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.302 1.041 . . . . 0.0 111.658 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.137 0.975 . . . . 0.0 113.382 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -85.68 -41.61 15.01 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.892 0.877 . . . . 0.0 111.704 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.06 -28.51 68.89 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.04 -40.28 94.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.662 0.785 . . . . 0.0 111.357 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.02 57.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.136 0.574 . . . . 0.0 112.257 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.56 -38.23 86.72 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.443 0.697 . . . . 0.0 112.424 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -69.7 -14.96 63.06 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -30.7 46.34 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.367 0.985 . . . . 0.0 111.64 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -88.53 -10.07 50.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.429 1.492 . . . . 0.0 113.206 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.81 62.61 0.84 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.245 1.818 . . . . 0.0 111.028 170.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -67.37 -21.55 65.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.305 1.842 . . . . 0.0 113.963 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.62 -20.92 28.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.951 1.7 . . . . 0.0 112.738 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 7.53 86.27 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.025 1.297 . . . . 0.0 113.942 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -89.89 -9.46 48.9 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.746 1.618 . . . . 0.0 113.711 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 21.19 25.99 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.847 1.213 . . . . 0.0 113.635 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -128.56 154.84 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.852 1.661 . . . . 0.0 112.016 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.2 pt -117.45 164.58 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.801 1.241 . . . . 0.0 110.411 162.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -81.3 162.82 23.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 0.0 111.413 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.5 p -62.8 -27.71 69.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.252 1.021 . . . . 0.0 112.496 173.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -77.44 -28.52 52.52 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -19.87 56.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.79 -49.02 74.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.479 1.112 . . . . 0.0 111.55 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.45 -16.27 69.24 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.386 -0.675 . . . . 0.0 113.756 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -82.06 -55.99 4.22 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.056 0.942 . . . . 0.0 110.024 170.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.31 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mtp -66.72 -34.01 76.9 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.351 0.978 . . . . 0.0 112.762 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -81.25 -34.17 32.3 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.913 0.885 . . . . 0.0 112.466 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.3 m -66.72 -21.51 66.08 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.813 -1.179 . . . . 0.0 113.619 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 mt -77.84 1.52 20.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.022 1.329 . . . . 0.0 113.706 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.31 59.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.873 1.225 . . . . 0.0 115.267 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -86.16 173.91 9.49 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.453 1.127 . . . . 0.0 110.715 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -150.08 64.25 6.72 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.8 . . . . 0.0 112.973 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -67.33 158.39 57.22 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.32 2.68 . . . . 0.0 111.321 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -74.87 164.62 26.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.017 0.927 . . . . 0.0 111.469 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -55.77 -37.76 68.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 111.582 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.94 70.43 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.385 1.074 . . . . 0.0 112.482 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.05 -40.81 91.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.802 0.728 . . . . 0.0 111.666 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.23 -48.73 80.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.161 0.584 . . . . 0.0 111.102 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -64.23 -36.45 84.11 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.583 0.628 . . . . 0.0 112.221 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.83 -34.6 78.53 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.044 . . . . 0.0 113.23 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.9 mtm -74.06 -28.83 61.59 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.499 -0.751 . . . . 0.0 111.482 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.16 -46.49 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.867 0.758 . . . . 0.0 110.146 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -56.63 -28.58 60.83 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.464 1.029 . . . . 0.0 113.303 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.05 -13.81 60.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 114.01 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -125.82 -27.21 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -87.25 19.25 3.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.218 1.807 . . . . 0.0 112.39 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.03 64.67 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.787 1.235 . . . . 0.0 113.488 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.73 -16.83 56.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.072 1.349 . . . . 0.0 113.543 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 10.33 85.42 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.244 1.402 . . . . 0.0 115.211 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -77.02 -15.94 59.46 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.33 9.97 86.52 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.701 1.143 . . . . 0.0 114.444 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -136.41 159.23 42.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 112.284 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.54 122.07 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 126.1 1.76 . . . . 0.0 108.485 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.68 153.28 35.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.254 1.021 . . . . 0.0 111.336 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -47.4 -49.84 51.98 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 116.863 -1.541 . . . . 0.0 115.041 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.58 -26.83 69.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.597 2.198 . . . . 0.0 114.197 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -74.11 -38.87 63.71 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.008 1.276 . . . . 0.0 111.422 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.16 -40.94 99.01 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.304 1.042 . . . . 0.0 111.395 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.44 -25.3 66.67 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.218 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -60.81 -39.25 88.27 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 120.411 1.459 . . . . 0.0 111.445 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.21 -41.97 98.87 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.844 0.458 . . . . 0.0 111.156 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.42 -38.31 74.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 112.19 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.75 99.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.586 1.155 . . . . 0.0 111.988 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.16 -27.87 68.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.592 1.157 . . . . 0.0 112.86 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -75.51 -27.49 58.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.184 0.994 . . . . 0.0 112.981 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.2 mmt -66.11 133.28 50.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.781 0.832 . . . . 0.0 110.539 171.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -151.89 151.23 31.01 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -88.64 4.32 47.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.896 2.078 . . . . 0.0 114.616 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -67.71 170.03 8.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.862 1.665 . . . . 0.0 113.17 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.1 155.69 39.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.2 1.4 . . . . 0.0 113.717 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -162.66 145.55 11.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.954 1.702 . . . . 0.0 109.939 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -53.17 -40.91 64.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.414 1.086 . . . . 0.0 112.115 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 -20.17 64.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.169 0.987 . . . . 0.0 112.963 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -87.71 -46.12 9.76 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.591 1.156 . . . . 0.0 110.742 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.92 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.649 0.78 . . . . 0.0 111.339 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.5 -38.23 83.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.776 0.831 . . . . 0.0 112.62 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.79 -33.86 75.64 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.471 0.708 . . . . 0.0 112.141 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.21 86.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.539 0.609 . . . . 0.0 110.764 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -64.54 -39.29 93.5 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.25 -36.31 83.24 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.584 0.629 . . . . 0.0 112.06 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.76 -37.76 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.391 1.076 . . . . 0.0 111.919 171.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -82.77 -23.12 34.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -78.49 73.21 5.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.559 1.143 . . . . 0.0 110.834 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.24 -18.68 65.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.072 1.349 . . . . 0.0 114.346 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -89.76 -20.03 24.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.901 1.28 . . . . 0.0 112.977 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.87 20.13 74.07 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.221 1.391 . . . . 0.0 114.363 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -78.01 -19.0 55.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.2 83.6 Favored Glycine 0 N--CA 1.477 1.415 0 C-N-CA 124.966 1.269 . . . . 0.0 113.971 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.93 151.53 42.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.439 1.895 . . . . 0.0 109.65 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.89 170.06 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.127 0.971 . . . . 0.0 110.253 170.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.9 p -85.08 158.21 20.49 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.9 -1.125 . . . . 0.0 112.724 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.22 74.9 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.489 -0.757 . . . . 0.0 111.66 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.92 97.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.553 0.741 . . . . 0.0 112.136 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.52 -48.2 78.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.606 0.762 . . . . 0.0 111.018 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.56 -43.47 98.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.973 0.806 . . . . 0.0 111.982 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -59.46 -47.52 85.18 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.677 0.671 . . . . 0.0 110.796 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -64.68 -49.06 72.43 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.107 0.867 . . . . 0.0 112.186 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -16.36 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.75 -35.6 12.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.075 1.35 . . . . 0.0 113.563 171.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.3 p -87.46 -25.6 23.66 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.612 1.096 . . . . 0.0 113.715 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -96.64 -52.99 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.118 0.967 . . . . 0.0 112.287 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.12 159.6 15.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.021 1.328 . . . . 0.0 112.811 -171.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.23 -145.04 35.51 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.363 0.983 . . . . 0.0 111.276 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.92 146.38 35.59 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 152.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -75.27 109.81 9.09 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.579 -1.326 . . . . 0.0 110.661 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 144.5 55.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.45 1.1 . . . . 0.0 111.113 -175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 146.63 50.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.589 1.156 . . . . 0.0 110.795 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.81 -32.61 72.92 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.8 -23.25 59.66 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.06 -45.95 14.55 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.664 1.186 . . . . 0.0 109.547 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.17 -51.5 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.434 1.094 . . . . 0.0 111.324 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.15 -26.81 68.34 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.43 0.692 . . . . 0.0 112.699 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.21 -42.18 46.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.625 0.77 . . . . 0.0 111.587 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.68 -39.43 91.4 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.621 0.769 . . . . 0.0 111.737 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.07 -56.92 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 110.001 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -49.38 -53.54 21.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.711 1.204 . . . . 0.0 113.263 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.67 -20.96 61.15 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -172.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.7 -39.8 10.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.064 0.946 . . . . 0.0 112.816 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.92 -34.71 78.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.344 1.858 . . . . 0.0 112.891 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.98 -41.03 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.424 1.09 . . . . 0.0 110.93 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.58 -38.94 47.3 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.88 0.872 . . . . 0.0 113.106 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -92.62 6.32 77.36 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.08 1.324 . . . . 0.0 114.574 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.6 t0 55.05 57.13 5.83 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.61 1.964 . . . . 0.0 113.62 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.73 -15.62 62.38 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.415 1.483 . . . . 0.0 113.908 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.11 164.24 12.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.711 1.604 . . . . 0.0 109.982 167.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.25 111.98 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.714 1.605 . . . . 0.0 107.971 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.98 70.35 9.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.171 1.389 . . . . 0.0 110.811 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.77 -31.17 71.35 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.33 -34.84 74.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.002 1.321 . . . . 0.0 113.36 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.02 -28.66 16.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 0.0 112.091 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -33.3 72.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.59 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.04 -44.06 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.666 1.186 . . . . 0.0 111.713 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.96 -44.6 54.3 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.384 0.538 . . . . 0.0 110.583 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.88 -22.83 65.89 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -77.94 -23.26 48.62 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.9 t -139.18 6.12 2.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -168.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.36 143.26 50.06 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.717 1.144 . . . . 0.0 112.738 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.976 1.71 . . . . 0.0 112.001 -172.73 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 CA-C-O 119.593 -0.56 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.35 158.19 54.94 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 124.103 3.202 . . . . 0.0 111.794 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.06 53.84 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.212 0.91 . . . . 0.0 113.702 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.8 m -63.84 -40.16 95.92 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.98 0.912 . . . . 0.0 110.766 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -60.81 -41.76 96.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.222 2.209 . . . . 0.0 111.64 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.44 -44.34 71.49 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.527 -0.733 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.1 m -69.5 -33.68 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.254 0.934 . . . . 0.0 112.099 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.4 m -62.15 -44.3 96.92 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.684 0.675 . . . . 0.0 111.764 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.67 87.94 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.58 -0.7 . . . . 0.0 111.762 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.12 -31.24 72.35 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.1 t -64.18 -45.81 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.823 1.192 . . . . 0.0 111.283 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.38 -43.67 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.259 0.624 . . . . 0.0 111.124 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.053 0.941 . . . . 0.0 112.079 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -68.32 -42.76 78.91 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.443 -0.785 . . . . 0.0 111.806 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.84 98.17 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.091 0.956 . . . . 0.0 111.919 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.63 -38.67 84.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.26 -28.68 68.23 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.22 -0.925 . . . . 0.0 112.726 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -70.54 -41.84 71.97 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.396 0.998 . . . . 0.0 111.95 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 74.4 t60 -57.94 -45.64 86.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.964 0.906 . . . . 0.0 112.103 171.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.66 -41.52 95.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.912 1.685 . . . . 0.0 112.441 172.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.93 -46.55 89.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.2 0.909 . . . . 0.0 111.942 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -78.66 -47.08 17.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.718 0.807 . . . . 0.0 113.157 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 44.2 m -115.36 -15.87 11.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -162.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 64.59 12.22 7.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.771 2.028 . . . . 0.0 114.518 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -65.72 -20.88 66.45 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -170.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 36.0 m80 -125.56 25.11 7.08 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.12 1.368 . . . . 0.0 112.657 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -73.53 37.4 0.09 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.311 1.844 . . . . 0.0 114.928 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 15.9 m -73.3 -1.09 16.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.669 1.588 . . . . 0.0 113.655 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.35 -29.84 70.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.389 1.876 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.915 1.686 . . . . 0.0 111.513 179.526 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.535 0.207 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -119.79 -6.88 10.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.114 1.366 . . . . 0.0 112.867 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -149.8 177.05 10.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 110.768 -168.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.86 158.65 34.05 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 p -103.83 161.79 13.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 110.806 165.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.15 -31.84 70.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.709 0.804 . . . . 0.0 113.096 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.5 -21.47 60.4 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -80.44 -43.75 20.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.336 0.971 . . . . 0.0 110.662 168.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -56.2 -37.7 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.211 1.004 . . . . 0.0 111.879 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -25.03 67.91 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.458 1.103 . . . . 0.0 113.46 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.83 -43.46 11.82 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.168 0.987 . . . . 0.0 111.54 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.68 -28.3 69.81 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.73 0.696 . . . . 0.0 112.705 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.89 -36.36 70.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.683 0.793 . . . . 0.0 112.675 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.69 -44.66 81.17 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.679 0.792 . . . . 0.0 111.847 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.81 80.45 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.817 0.447 . . . . 0.0 112.196 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.21 -39.13 82.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.148 0.979 . . . . 0.0 112.494 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -28.99 70.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.16 -22.81 62.94 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.859 -1.151 . . . . 0.0 112.817 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -92.79 -12.99 29.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.363 1.465 . . . . 0.0 113.066 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -81.25 74.51 8.25 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.292 1.437 . . . . 0.0 110.777 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.56 -19.02 65.22 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.12 -16.47 19.53 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.665 1.186 . . . . 0.0 113.287 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 23.83 65.59 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.894 1.235 . . . . 0.0 113.809 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.02 -7.0 40.98 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.335 1.454 . . . . 0.0 114.018 -171.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 9.35 70.24 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.245 1.402 . . . . 0.0 114.062 -175.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -122.08 159.53 26.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.161 1.784 . . . . 0.0 112.068 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -119.79 159.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.532 1.133 . . . . 0.0 110.143 163.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -73.49 148.56 43.03 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -58.8 -32.9 69.77 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.047 0.939 . . . . 0.0 113.051 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -67.97 -19.65 64.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -86.73 -8.91 56.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.303 1.041 . . . . 0.0 113.172 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.64 -49.19 78.52 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.929 0.786 . . . . 0.0 111.13 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.05 73.16 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 123.093 0.377 . . . . 0.0 112.627 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -72.06 -48.92 40.79 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.74 -33.33 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.804 1.184 . . . . 0.0 112.48 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.86 -47.44 82.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.233 0.924 . . . . 0.0 111.475 170.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -72.87 -29.18 62.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.24 1.016 . . . . 0.0 112.991 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.5 m -68.63 -27.81 66.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.951 0.9 . . . . 0.0 112.664 171.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.0 4.31 34.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.423 1.489 . . . . 0.0 112.672 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.85 10.31 65.0 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.491 1.519 . . . . 0.0 115.443 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -88.13 162.83 16.52 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.719 1.26 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -147.56 50.06 0.86 Allowed Pre-proline 0 CA--C 1.556 1.186 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -69.54 164.83 32.86 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.627 2.885 . . . . 0.0 111.782 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -76.17 154.62 35.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.231 0.612 . . . . 0.0 109.823 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.92 -32.28 71.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 0.0 112.328 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.89 79.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.207 1.003 . . . . 0.0 112.801 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.08 -41.15 67.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.657 0.783 . . . . 0.0 110.684 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.33 -50.12 74.22 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.748 0.819 . . . . 0.0 110.791 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -60.24 -39.65 87.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.772 0.829 . . . . 0.0 112.49 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.24 -34.45 78.14 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -78.17 -38.99 42.26 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.504 -0.748 . . . . 0.0 111.309 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.74 -48.69 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.187 0.995 . . . . 0.0 109.882 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -61.73 -28.15 69.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.098 0.959 . . . . 0.0 113.186 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.36 -46.94 30.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.829 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.02 -24.9 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.94 38.49 0.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.785 1.234 . . . . 0.0 112.466 174.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.14 -24.46 67.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.307 1.443 . . . . 0.0 113.935 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.19 -16.32 60.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.907 1.283 . . . . 0.0 113.219 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.72 80.46 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.9 1.238 . . . . 0.0 113.728 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.58 -26.56 60.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 113.869 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.28 74.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.07 1.319 . . . . 0.0 113.17 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.1 p -137.27 161.18 36.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.925 1.69 . . . . 0.0 111.75 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.56 125.28 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.093 1.757 . . . . 0.0 108.557 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.22 153.78 22.4 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.459 1.104 . . . . 0.0 111.354 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -53.03 -48.75 90.71 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 -28.41 60.45 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.19 1.926 . . . . 0.0 113.695 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -74.26 -36.58 63.84 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.133 0.879 . . . . 0.0 111.488 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.8 -42.83 99.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.143 0.977 . . . . 0.0 112.127 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -26.89 68.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -67.51 -31.88 72.31 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.017 1.281 . . . . 0.0 112.628 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -70.79 -27.5 63.95 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.65 0.78 . . . . 0.0 112.868 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.8 mmm -81.89 -46.11 14.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.695 1.198 . . . . 0.0 112.137 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.829 1.652 . . . . 0.0 113.576 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -62.25 -19.15 62.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.68 1.192 . . . . 0.0 113.707 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.36 -15.48 28.95 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.727 1.211 . . . . 0.0 113.809 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 mmt -99.47 6.88 45.82 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.158 1.383 . . . . 0.0 114.404 -171.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.96 150.7 23.77 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -139.8 37.46 1.99 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.328 2.251 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.9 149.06 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.782 1.633 . . . . 0.0 112.999 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -163.17 169.6 19.08 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.761 2.024 . . . . 0.0 111.667 167.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.0 t -163.21 149.52 12.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.385 1.474 . . . . 0.0 111.247 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.59 -30.96 56.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.863 1.265 . . . . 0.0 111.955 173.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.52 -40.01 88.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.716 0.806 . . . . 0.0 112.345 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.29 -36.0 58.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.538 0.735 . . . . 0.0 110.472 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.84 -44.97 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.015 0.926 . . . . 0.0 110.141 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -58.87 -44.22 91.03 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.551 -0.718 . . . . 0.0 112.048 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.62 -28.83 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.509 1.05 . . . . 0.0 112.958 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.31 82.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 110.449 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -63.72 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 171.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.54 -39.21 93.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.132 0.878 . . . . 0.0 111.886 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.62 -38.39 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.869 0.868 . . . . 0.0 112.393 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -81.35 -17.68 48.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.29 116.95 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.871 1.214 . . . . 0.0 110.057 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.73 -8.98 59.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.245 . . . . 0.0 114.227 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -129.16 -19.91 3.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.184 1.394 . . . . 0.0 114.014 -173.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.98 22.26 61.57 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.44 1.019 . . . . 0.0 113.034 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.7 -22.83 60.83 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.5 1.52 . . . . 0.0 114.377 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.65 74.34 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 125.172 1.367 . . . . 0.0 113.65 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -136.74 151.65 49.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.984 2.114 . . . . 0.0 110.804 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.48 159.07 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.903 1.281 . . . . 0.0 109.859 172.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 p -79.53 148.8 31.66 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.017 -1.052 . . . . 0.0 111.961 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.8 72.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.833 0.853 . . . . 0.0 112.108 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.56 85.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.251 1.02 . . . . 0.0 112.227 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.45 -47.4 76.29 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.998 0.519 . . . . 0.0 111.177 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.21 -47.66 84.49 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.84 0.745 . . . . 0.0 111.41 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.3 ttp-105 -56.33 -46.8 79.74 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 111.478 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.58 -45.22 91.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.476 0.71 . . . . 0.0 112.73 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.03 -53.93 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.173 0.589 . . . . 0.0 109.952 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.6 mmt -71.94 -20.72 61.71 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -167.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 p -88.18 -9.72 52.18 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 117.457 -1.258 . . . . 0.0 114.318 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.87 -24.04 2.45 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.96 154.84 19.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.891 1.276 . . . . 0.0 111.77 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.24 -136.39 34.74 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.348 0.975 . . . . 0.0 113.279 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -92.48 87.87 6.15 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.76 1.624 . . . . 0.0 108.47 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -53.73 138.92 34.16 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.596 1.158 . . . . 0.0 113.743 -165.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 mp -90.11 146.88 23.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.42 1.488 . . . . 0.0 112.292 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 m -71.94 159.9 33.46 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.954 1.701 . . . . 0.0 110.242 170.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.19 -42.71 66.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.939 1.296 . . . . 0.0 112.289 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.99 -28.33 66.51 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.66 -48.68 30.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.005 0.82 . . . . 0.0 109.879 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.02 -33.99 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.973 0.806 . . . . 0.0 112.634 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.96 -40.95 97.31 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.51 1.05 . . . . 0.0 111.416 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -71.29 -39.99 71.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 112.476 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.1 -50.37 73.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.68 0.673 . . . . 0.0 110.379 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.18 -40.21 88.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.488 0.715 . . . . 0.0 111.326 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -61.1 -38.5 86.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.729 1.15 . . . . 0.0 112.099 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -80.47 -27.9 37.72 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.81 -40.12 19.12 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.038 -1.038 . . . . 0.0 113.663 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -98.61 41.28 1.14 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.779 2.032 . . . . 0.0 111.908 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.4 pt -62.09 -16.27 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.982 -1.074 . . . . 0.0 113.576 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.8 -23.75 58.54 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.064 1.346 . . . . 0.0 113.091 171.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.55 -1.67 87.26 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.903 1.716 . . . . 0.0 115.935 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.46 -14.18 46.88 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.906 1.282 . . . . 0.0 113.676 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.41 0.69 67.13 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.303 1.43 . . . . 0.0 113.435 -173.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -103.43 129.22 50.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.046 1.338 . . . . 0.0 110.31 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -91.6 121.05 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.677 1.591 . . . . 0.0 109.421 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.82 76.36 5.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.291 1.437 . . . . 0.0 109.57 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -64.09 -29.52 70.65 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.97 -46.67 88.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.847 0.859 . . . . 0.0 111.627 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.27 -25.82 36.25 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.787 -0.571 . . . . 0.0 112.408 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.66 -34.8 71.64 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.197 -0.94 . . . . 0.0 112.603 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.15 -54.7 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 118.547 0.612 . . . . 0.0 111.136 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.32 -32.85 72.23 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.19 -28.59 69.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -90.82 -29.12 17.76 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.4 p -83.82 -34.16 24.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 120.211 1.369 . . . . 0.0 113.155 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.81 173.14 10.88 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.996 0.918 . . . . 0.0 112.514 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.53 1.932 . . . . 0.0 112.957 -179.588 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 CA-C-O 118.999 -0.89 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.46 -35.54 45.74 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.732 3.621 . . . . 0.0 115.763 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -68.14 -18.72 71.37 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 123.932 0.777 . . . . 0.0 114.443 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 69.9 m -97.3 -42.16 7.91 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.955 0.878 . . . . 0.0 111.717 168.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.56 -38.29 90.55 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.119 -0.988 . . . . 0.0 112.842 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.79 -36.81 83.27 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.105 -0.997 . . . . 0.0 112.256 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.5 m -81.79 -30.48 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.021 0.528 . . . . 0.0 112.19 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.9 m -61.29 -43.39 98.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.81 0.732 . . . . 0.0 111.481 172.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.19 55.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.379 0.671 . . . . 0.0 110.782 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.9 mtm -57.21 -36.37 70.79 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -40.9 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.193 0.597 . . . . 0.0 111.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.82 -40.79 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.469 -0.769 . . . . 0.0 110.956 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.66 -40.18 88.51 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.692 0.797 . . . . 0.0 111.677 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.69 -42.32 99.57 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.142 0.577 . . . . 0.0 111.716 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.52 89.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.748 0.819 . . . . 0.0 112.542 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -66.55 -39.03 88.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.239 0.615 . . . . 0.0 111.904 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.66 -34.99 76.66 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.242 -0.911 . . . . 0.0 112.235 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -63.15 -40.37 97.35 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.362 0.983 . . . . 0.0 111.727 167.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.26 -50.12 74.9 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.169 0.895 . . . . 0.0 111.739 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.35 -35.95 82.55 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 112.912 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.84 -44.24 93.77 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.677 0.791 . . . . 0.0 111.996 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -69.89 -34.14 73.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.818 0.735 . . . . 0.0 112.726 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -77.86 -48.05 17.35 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.956 1.302 . . . . 0.0 112.676 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 46.8 m -112.34 -18.87 12.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 70.23 -49.12 0.64 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.04 2.936 . . . . 0.0 113.803 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -76.61 -3.67 38.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.988 1.715 . . . . 0.0 113.362 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -55.76 -37.55 68.68 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.707 -1.246 . . . . 0.0 113.621 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -73.28 -18.15 61.25 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 12.5 m -80.73 -21.9 40.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.741 1.216 . . . . 0.0 112.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -82.07 -19.54 40.03 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.336 1.055 . . . . 0.0 113.191 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.729 1.612 . . . . 0.0 112.598 -176.864 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.702 0.287 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -140.36 -16.65 0.93 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.071 1.349 . . . . 0.0 113.26 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -82.06 172.0 13.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.972 2.509 . . . . 0.0 112.695 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.45 147.58 40.55 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.6 p -120.52 162.23 19.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.577 1.951 . . . . 0.0 110.56 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.28 -33.65 71.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.52 -21.98 61.84 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -83.97 -43.63 15.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.201 -0.937 . . . . 0.0 110.036 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.38 -39.55 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.333 1.053 . . . . 0.0 111.395 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -26.04 68.12 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.163 0.985 . . . . 0.0 113.612 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -87.29 -42.0 13.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.431 1.092 . . . . 0.0 111.365 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -67.1 -28.5 68.22 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.635 0.774 . . . . 0.0 112.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -60.99 -42.12 97.82 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.636 1.175 . . . . 0.0 112.914 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.08 -38.42 88.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.427 0.691 . . . . 0.0 111.648 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.67 53.02 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.119 0.568 . . . . 0.0 112.04 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -58.57 -39.72 81.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.439 1.095 . . . . 0.0 112.284 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -70.0 -14.46 62.71 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.29 -32.05 55.22 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.78 1.173 . . . . 0.0 111.695 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -86.4 -10.21 54.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.475 1.51 . . . . 0.0 113.126 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -79.74 76.91 6.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.333 1.453 . . . . 0.0 110.228 167.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.94 -23.56 64.16 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.98 -17.04 24.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.017 1.327 . . . . 0.0 113.479 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.98 30.16 48.33 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.615 1.102 . . . . 0.0 113.066 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -102.02 -6.18 23.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.773 1.629 . . . . 0.0 114.143 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.11 11.5 67.22 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.971 1.272 . . . . 0.0 114.518 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.0 p -126.79 160.84 29.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.3 1.84 . . . . 0.0 111.419 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -117.07 160.55 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.877 0.871 . . . . 0.0 110.31 165.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -72.58 150.3 43.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -55.62 -36.77 67.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.984 1.314 . . . . 0.0 112.301 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.78 -28.54 67.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.035 1.334 . . . . 0.0 113.677 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.68 -8.35 56.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.707 1.203 . . . . 0.0 113.14 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.71 -49.82 75.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.971 1.259 . . . . 0.0 111.405 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.68 -21.93 73.2 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.277 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 m -78.1 -50.66 11.59 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.66 1.23 . . . . 0.0 110.476 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.46 -38.46 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.058 0.845 . . . . 0.0 112.585 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.23 -40.42 86.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.703 1.138 . . . . 0.0 112.475 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -73.01 -28.24 62.25 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.806 -0.559 . . . . 0.0 112.506 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -69.33 -28.52 66.31 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.982 -1.074 . . . . 0.0 112.93 169.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -83.47 10.07 9.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.161 1.784 . . . . 0.0 112.561 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.41 12.84 82.03 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.623 1.106 . . . . 0.0 114.587 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.78 147.24 37.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.78 1.29 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -116.25 28.94 0.12 Allowed Pre-proline 0 CA--C 1.563 1.472 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -68.71 159.2 54.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.605 1.966 . . . . 0.0 110.884 171.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -72.2 166.17 22.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.266 0.626 . . . . 0.0 112.504 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.71 -33.85 70.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.965 0.506 . . . . 0.0 111.794 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -40.74 73.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.126 0.971 . . . . 0.0 112.637 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.7 -39.86 88.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.21 0.604 . . . . 0.0 111.455 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.16 -37.77 86.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.695 0.68 . . . . 0.0 111.868 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.2 -40.85 94.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.547 0.739 . . . . 0.0 111.274 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.67 -33.49 75.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.047 0.939 . . . . 0.0 112.831 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtt -66.03 -31.06 71.73 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.993 0.917 . . . . 0.0 112.098 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.13 -52.91 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.757 0.823 . . . . 0.0 109.418 171.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -55.55 -27.89 51.61 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -68.31 -23.64 64.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.079 1.351 . . . . 0.0 113.164 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.4 m -123.86 -24.85 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -88.72 8.63 27.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 113.456 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.47 69.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.209 1.403 . . . . 0.0 113.425 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.24 -0.5 56.81 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.883 1.273 . . . . 0.0 113.115 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.51 28.55 39.11 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.133 1.349 . . . . 0.0 113.585 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.21 -39.98 96.17 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.6 -7.84 23.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.533 1.54 . . . . 0.0 114.741 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -143.82 160.35 40.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.146 2.178 . . . . 0.0 111.006 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.4 130.91 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.906 1.682 . . . . 0.0 109.154 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -90.23 152.02 21.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.68 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -52.69 -51.85 69.77 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -170.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.92 -26.54 59.08 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.317 1.863 . . . . 0.0 113.554 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.44 -42.54 64.93 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.664 1.12 . . . . 0.0 110.955 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.1 -42.88 81.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.763 1.225 . . . . 0.0 112.247 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 -39.0 87.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.366 0.53 . . . . 0.0 112.374 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 m -64.3 -45.71 86.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.3 1.04 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.84 -31.46 72.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -65.4 -55.37 18.46 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.128 0.877 . . . . 0.0 110.99 170.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.96 73.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.16 -46.12 44.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.179 0.992 . . . . 0.0 112.959 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -94.18 -8.28 39.82 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -166.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.2 mtt -56.14 143.33 33.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.492 1.117 . . . . 0.0 111.983 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -170.43 153.02 4.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.737 2.015 . . . . 0.0 112.206 -166.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -143.95 27.16 1.48 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.719 2.008 . . . . 0.0 109.643 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m -107.3 132.61 52.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.651 1.18 . . . . 0.0 111.239 -145.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.8 152.39 21.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.204 1.002 . . . . 0.0 113.52 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.9 p -89.54 161.0 16.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.272 1.029 . . . . 0.0 112.4 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.29 -29.65 66.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.779 0.832 . . . . 0.0 112.354 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.25 -37.61 60.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.055 0.942 . . . . 0.0 111.817 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.93 -41.63 86.69 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.455 -0.778 . . . . 0.0 110.704 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mt -65.04 -38.23 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.509 1.123 . . . . 0.0 110.849 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.55 -44.55 96.0 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.992 0.917 . . . . 0.0 112.617 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.24 -32.51 74.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.481 0.712 . . . . 0.0 112.217 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.56 71.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 112.753 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -78.05 -36.92 47.88 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.557 -0.714 . . . . 0.0 112.354 168.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -62.52 -35.15 78.48 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.286 0.635 . . . . 0.0 112.516 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.27 -19.17 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.8 -0.35 55.88 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.017 1.327 . . . . 0.0 113.69 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -79.29 65.22 4.4 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.087 1.355 . . . . 0.0 110.876 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -63.61 -25.94 68.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.451 1.5 . . . . 0.0 113.929 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.64 -14.55 48.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.136 1.374 . . . . 0.0 113.482 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.03 11.75 83.77 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.862 1.22 . . . . 0.0 114.014 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -86.11 -18.27 32.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.861 1.265 . . . . 0.0 114.307 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.98 17.35 54.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.494 1.521 . . . . 0.0 114.022 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -139.65 155.95 47.11 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.655 1.582 . . . . 0.0 112.679 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.16 173.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.044 1.738 . . . . 0.0 109.654 167.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.4 p -105.46 162.2 13.67 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.408 -1.433 . . . . 0.0 112.454 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.93 74.69 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.085 -1.009 . . . . 0.0 111.525 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.85 81.31 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.67 0.788 . . . . 0.0 112.356 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.07 -44.85 91.16 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.497 0.719 . . . . 0.0 110.661 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 mt -56.63 -41.32 76.91 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.173 0.897 . . . . 0.0 112.229 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -66.47 -9.67 36.71 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -110.14 -52.73 2.75 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.994 1.317 . . . . 0.0 112.131 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.06 -23.85 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.636 1.174 . . . . 0.0 113.21 -170.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.8 mmt -87.89 -13.85 40.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.466 1.107 . . . . 0.0 113.751 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -115.55 3.12 13.96 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -165.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.36 -18.9 0.87 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.34 127.05 41.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.527 1.131 . . . . 0.0 110.34 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.31 -140.51 37.54 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.65 0.643 . . . . 0.0 111.805 -174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.54 150.87 48.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.16 0.505 . . . . 0.0 110.701 164.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -94.46 127.45 40.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.983 -1.073 . . . . 0.0 112.216 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -73.32 140.61 46.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.7 0.8 . . . . 0.0 110.823 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -66.51 150.62 48.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.767 1.627 . . . . 0.0 110.937 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.33 -29.25 70.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.875 1.27 . . . . 0.0 113.961 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.52 -35.73 45.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.66 0.784 . . . . 0.0 111.671 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.6 -40.81 55.89 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.977 0.911 . . . . 0.0 111.709 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.52 -32.69 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.56 1.073 . . . . 0.0 111.654 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.14 -39.96 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.333 -0.854 . . . . 0.0 112.072 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.72 -33.86 74.65 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.973 0.909 . . . . 0.0 112.015 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.3 ttm -59.29 -47.29 85.93 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.234 -0.916 . . . . 0.0 110.93 168.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.47 -28.22 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.057 0.943 . . . . 0.0 113.189 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -52.1 -37.82 55.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.434 1.015 . . . . 0.0 112.502 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -11.21 34.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.695 1.198 . . . . 0.0 113.609 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -38.3 14.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.935 1.243 . . . . 0.0 113.005 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -75.48 -1.91 26.38 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.35 1.86 . . . . 0.0 114.501 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.3 pt -61.58 -14.75 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.638 1.575 . . . . 0.0 114.901 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.71 -29.88 70.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.995 1.718 . . . . 0.0 112.893 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.32 -21.11 26.59 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.927 1.727 . . . . 0.0 115.445 172.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -11.41 54.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.207 1.504 . . . . 0.0 113.539 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.21 -10.01 76.04 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.297 1.427 . . . . 0.0 113.429 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -84.17 149.05 26.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.161 1.384 . . . . 0.0 109.997 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 119.33 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.59 96.89 5.59 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 162.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -66.65 -22.54 66.1 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.97 -44.03 97.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.748 1.219 . . . . 0.0 111.737 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.16 -29.69 57.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.815 0.846 . . . . 0.0 112.336 170.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.55 -37.07 85.91 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.025 -1.047 . . . . 0.0 112.345 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -51.22 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.873 0.869 . . . . 0.0 110.244 168.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.25 -38.87 92.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.37 0.668 . . . . 0.0 112.174 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.1 mtm -68.85 -33.95 74.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 112.847 174.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.7 ttm -71.53 -43.33 66.63 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.682 0.793 . . . . 0.0 111.984 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 65.1 p -91.65 4.22 53.21 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.01 1.324 . . . . 0.0 114.115 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.58 136.84 49.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.942 1.297 . . . . 0.0 112.78 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 C--O 1.249 1.044 0 C-N-CA 126.505 1.922 . . . . 0.0 111.521 -176.879 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.669 -0.517 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.28 157.69 56.4 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 124.376 3.384 . . . . 0.0 111.798 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -77.02 164.96 53.24 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 123.934 0.778 . . . . 0.0 114.024 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 17.4 m -64.36 -39.98 94.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.51 0.724 . . . . 0.0 111.058 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.1 -38.17 90.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.388 1.875 . . . . 0.0 111.783 172.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.6 -46.93 62.47 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.361 -0.837 . . . . 0.0 111.625 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -67.52 -32.51 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.739 0.7 . . . . 0.0 111.548 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 60.6 m -62.27 -45.86 91.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.516 1.053 . . . . 0.0 112.082 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.59 86.18 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.51 -0.744 . . . . 0.0 111.336 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.5 mtm -66.76 -31.0 71.36 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 8.8 t -65.26 -44.78 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.464 1.105 . . . . 0.0 111.315 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.33 -41.0 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.464 0.575 . . . . 0.0 110.825 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -62.47 -40.93 98.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.618 0.767 . . . . 0.0 111.833 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -65.81 -42.45 90.64 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.113 -0.992 . . . . 0.0 111.187 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.68 88.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.944 0.898 . . . . 0.0 112.502 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 55.7 t80 -67.77 -41.52 83.17 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.879 -0.513 . . . . 0.0 111.704 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -63.59 -35.81 81.74 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.006 -1.058 . . . . 0.0 112.188 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.56 -40.66 84.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.084 0.954 . . . . 0.0 111.944 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.83 -42.83 94.4 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.867 0.867 . . . . 0.0 111.731 172.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.06 -35.79 81.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.019 0.928 . . . . 0.0 112.709 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.61 -42.37 98.21 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.841 0.746 . . . . 0.0 111.276 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -73.82 -11.62 60.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -81.56 -38.32 26.34 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.106 0.962 . . . . 0.0 113.138 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.2 p -106.12 -26.6 11.54 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 2.9 mm? 63.2 -71.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.919 2.888 . . . . 0.0 113.629 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -160.4 34.06 0.16 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.576 1.55 . . . . 0.0 112.57 -168.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 75.8 t60 -59.95 144.05 50.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.703 -1.248 . . . . 0.0 112.387 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -157.61 165.37 35.7 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.603 1.561 . . . . 0.0 112.754 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 8.5 t -165.01 -179.26 5.62 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.937 1.695 . . . . 0.0 111.267 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 65.0 t80 -68.2 -29.56 68.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.752 1.221 . . . . 0.0 113.06 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.184 1.794 . . . . 0.0 111.602 177.109 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.199 0.523 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.97 10.21 39.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.149 1.779 . . . . 0.0 113.043 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -152.74 163.87 38.86 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.101 1.76 . . . . 0.0 109.996 -169.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.57 151.07 42.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.311 1.044 . . . . 0.0 113.677 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.0 p -132.05 159.86 37.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.292 1.837 . . . . 0.0 111.347 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.76 -39.69 74.48 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.327 1.051 . . . . 0.0 112.651 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.99 -22.8 63.1 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -84.34 -44.48 13.75 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.57 0.748 . . . . 0.0 110.675 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.73 -39.25 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.589 1.156 . . . . 0.0 111.636 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.22 68.15 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.247 1.019 . . . . 0.0 113.639 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -90.37 -37.24 14.14 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.246 1.018 . . . . 0.0 112.036 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -63.9 -28.73 70.03 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.428 -0.795 . . . . 0.0 112.976 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.7 tppt? -54.64 -40.64 69.2 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.598 1.159 . . . . 0.0 112.378 170.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.28 -42.88 78.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.677 0.791 . . . . 0.0 112.12 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.96 75.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.129 0.572 . . . . 0.0 112.21 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.01 -34.49 78.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.058 0.943 . . . . 0.0 112.115 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 t -62.17 -31.16 71.63 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.804 1.242 . . . . 0.0 113.88 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -25.26 61.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.695 -1.253 . . . . 0.0 112.811 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -90.51 -15.58 30.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.166 1.387 . . . . 0.0 112.509 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -78.16 69.22 4.34 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.822 1.649 . . . . 0.0 110.948 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -65.73 -24.88 67.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.055 1.342 . . . . 0.0 114.101 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.54 -19.49 31.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 113.109 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.3 9.87 86.57 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.81 1.195 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -91.2 -13.14 33.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.025 1.73 . . . . 0.0 113.741 -173.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 19.63 17.17 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.116 1.341 . . . . 0.0 115.099 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -128.61 153.29 47.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.462 1.505 . . . . 0.0 111.695 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -115.49 162.42 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.088 1.355 . . . . 0.0 110.832 169.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 151.13 41.87 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.433 -0.792 . . . . 0.0 109.075 168.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -57.33 -36.69 71.47 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.364 1.066 . . . . 0.0 111.751 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.12 -24.04 67.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 113.776 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.85 -7.77 57.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.901 1.28 . . . . 0.0 112.613 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.51 -50.03 75.19 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.981 -1.075 . . . . 0.0 111.72 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.5 63.26 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.391 0.519 . . . . 0.0 112.852 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 -44.99 19.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.089 1.356 . . . . 0.0 110.771 173.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.18 -28.85 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 120.377 1.444 . . . . 0.0 112.243 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -56.94 -56.57 20.02 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.169 0.987 . . . . 0.0 110.765 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -67.99 -30.25 69.47 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -63.63 -36.2 83.05 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.88 -1.137 . . . . 0.0 112.712 171.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.54 -4.26 55.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.187 1.395 . . . . 0.0 114.033 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 9.59 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.831 1.205 . . . . 0.0 114.314 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.9 146.71 33.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.341 1.056 . . . . 0.0 109.83 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -128.92 48.44 3.64 Favored Pre-proline 0 CA--C 1.556 1.189 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -65.29 149.89 87.94 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.731 2.287 . . . . 0.0 110.746 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -71.88 167.26 20.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.713 0.805 . . . . 0.0 111.917 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.94 -37.17 71.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.722 0.809 . . . . 0.0 111.518 169.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.31 79.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 112.557 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.4 -44.33 91.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.593 0.633 . . . . 0.0 111.783 174.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.93 -49.31 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.511 0.724 . . . . 0.0 110.88 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -65.23 -38.65 91.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.043 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.09 -34.74 78.73 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.563 1.074 . . . . 0.0 112.84 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -71.62 -41.65 68.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.57 0.623 . . . . 0.0 110.565 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.58 -46.59 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.96 0.904 . . . . 0.0 110.582 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -57.66 -31.95 66.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.599 1.159 . . . . 0.0 112.635 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.71 -48.85 12.97 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.633 0.773 . . . . 0.0 112.234 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -80.58 -26.18 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -174.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -95.64 27.8 3.29 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.924 1.29 . . . . 0.0 112.848 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.87 64.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -84.99 -12.22 53.73 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 113.441 173.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.73 12.01 82.09 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.195 1.379 . . . . 0.0 115.747 171.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.74 -22.69 64.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.956 1.378 . . . . 0.0 114.353 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.38 9.27 85.16 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.404 1.478 . . . . 0.0 114.054 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -134.45 159.82 39.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.741 1.616 . . . . 0.0 112.565 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.3 mt -128.46 130.99 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.165 1.786 . . . . 0.0 109.176 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.22 151.96 20.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.083 1.753 . . . . 0.0 111.085 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 34.1 t80 -50.37 -52.76 51.77 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -171.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.73 -24.51 47.37 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.482 2.121 . . . . 0.0 113.591 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.29 -38.51 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.207 0.912 . . . . 0.0 111.016 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.89 -39.93 95.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.518 1.127 . . . . 0.0 112.08 169.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.39 -34.46 78.21 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.908 -1.12 . . . . 0.0 112.539 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 m -61.85 -41.57 97.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.07 0.948 . . . . 0.0 111.233 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ptp -75.28 -32.52 61.04 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.279 0.945 . . . . 0.0 112.975 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mmm -64.88 -33.9 77.1 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.096 0.862 . . . . 0.0 112.735 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.11 79.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.259 1.024 . . . . 0.0 112.748 175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -66.42 -33.4 75.61 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.492 1.117 . . . . 0.0 112.535 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -71.26 -15.9 62.46 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.82 -3.43 58.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -63.17 108.54 1.29 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.498 1.045 . . . . 0.0 113.419 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.01 -32.73 51.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.8 1.24 . . . . 0.0 111.849 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 t -73.67 174.49 8.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 111.758 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -145.59 155.26 42.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.566 1.546 . . . . 0.0 110.682 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -78.53 126.53 30.89 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.78 0.832 . . . . 0.0 112.113 -170.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.77 -40.77 73.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.623 1.169 . . . . 0.0 112.384 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.83 -34.68 78.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.048 0.939 . . . . 0.0 112.687 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.81 -41.25 75.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.265 0.938 . . . . 0.0 110.41 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.2 -41.7 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.628 0.771 . . . . 0.0 110.097 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -65.45 -43.26 90.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.634 0.652 . . . . 0.0 112.154 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.71 -36.31 76.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.744 0.818 . . . . 0.0 112.412 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.7 70.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -80.43 -38.96 29.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.076 0.853 . . . . 0.0 112.928 167.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -58.2 -34.52 70.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.992 0.917 . . . . 0.0 112.714 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.06 -26.6 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.76 -12.88 40.9 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.374 1.07 . . . . 0.0 113.144 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.73 127.76 32.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.952 0.901 . . . . 0.0 110.225 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.94 -10.31 59.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.441 1.096 . . . . 0.0 113.845 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -131.08 -14.08 3.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.463 1.905 . . . . 0.0 113.555 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.1 8.97 85.82 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.353 1.454 . . . . 0.0 113.563 -171.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -67.06 -24.39 65.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.671 1.988 . . . . 0.0 115.485 -166.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.05 12.63 17.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.376 1.465 . . . . 0.0 114.382 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -139.26 140.47 37.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.893 1.277 . . . . 0.0 114.281 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.93 158.42 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.419 1.888 . . . . 0.0 109.839 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 m -78.01 149.05 34.1 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.142 -0.974 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.53 98.69 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.749 -1.219 . . . . 0.0 112.448 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.474 -0.767 . . . . 0.0 111.952 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.98 -49.66 73.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.89 1.676 . . . . 0.0 111.324 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.99 -46.79 85.99 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.488 -0.758 . . . . 0.0 111.242 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -55.71 -45.44 77.9 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.526 0.731 . . . . 0.0 111.547 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.86 -45.03 65.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.93 -26.26 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.467 -1.396 . . . . 0.0 112.246 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.94 -34.88 62.15 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.685 1.194 . . . . 0.0 113.819 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.3 p -84.85 -22.9 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.228 0.922 . . . . 0.0 112.803 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -99.69 -40.04 7.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -170.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.7 157.95 15.67 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.613 1.165 . . . . 0.0 112.584 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.39 -147.98 46.5 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.312 1.434 . . . . 0.0 113.82 168.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.78 122.03 18.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 157.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -75.34 119.74 19.86 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.741 -0.6 . . . . 0.0 111.856 -166.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.1 153.91 31.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.781 0.832 . . . . 0.0 110.504 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 p -86.98 156.62 19.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.874 1.269 . . . . 0.0 112.821 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -55.94 -39.18 71.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.926 1.29 . . . . 0.0 112.808 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.14 -34.68 76.79 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.792 0.837 . . . . 0.0 112.206 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -77.18 -44.91 28.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.47 -29.06 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.66 1.118 . . . . 0.0 112.513 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.11 -41.21 90.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.514 1.052 . . . . 0.0 111.582 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -70.05 -33.13 71.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.13 0.572 . . . . 0.0 111.987 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -64.75 -47.65 77.45 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.465 -0.772 . . . . 0.0 110.909 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.57 -44.8 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.552 1.141 . . . . 0.0 111.362 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.52 -40.4 62.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.879 1.272 . . . . 0.0 112.414 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -91.77 -27.35 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.55 -42.37 12.11 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -175.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.61 -24.51 60.05 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.337 -0.852 . . . . 0.0 112.919 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 pt -70.94 -10.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.44 -26.98 61.18 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.882 0.764 . . . . 0.0 112.099 169.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -118.98 -136.58 5.4 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.792 2.139 . . . . 0.0 111.535 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -165.16 112.19 0.97 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.327 1.851 . . . . 0.0 110.189 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.73 -38.35 1.48 Allowed Glycine 0 N--CA 1.476 1.318 0 C-N-CA 125.902 1.715 . . . . 0.0 113.644 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -101.51 133.98 45.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.245 1.418 . . . . 0.0 109.394 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.85 121.01 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.909 1.683 . . . . 0.0 109.102 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.04 97.24 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 165.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -73.6 -25.44 60.33 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.29 -43.91 98.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.959 0.904 . . . . 0.0 111.615 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -74.9 -34.96 62.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.85 0.86 . . . . 0.0 111.87 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -63.16 -36.48 83.76 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.389 -0.819 . . . . 0.0 112.87 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.1 t -55.28 -33.55 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.795 0.838 . . . . 0.0 112.627 174.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.22 -46.06 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.183 0.901 . . . . 0.0 111.786 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.9 ptp -74.31 -11.77 60.36 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.7 mtm -84.25 -37.91 21.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 46.5 p -92.85 -27.35 17.19 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.81 1.244 . . . . 0.0 113.775 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -139.83 -155.26 0.57 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.466 1.506 . . . . 0.0 111.934 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt . . . . . 0 C--O 1.254 1.338 0 C-N-CA 130.128 3.371 . . . . 0.0 113.493 178.715 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 CA-C-O 119.624 -0.542 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.03 163.81 37.27 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.314 3.343 . . . . 0.0 111.872 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -144.6 154.87 26.08 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 125.087 1.327 . . . . 0.0 113.386 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 46.7 m -67.51 -33.07 74.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.894 1.278 . . . . 0.0 111.485 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -46.62 -44.57 18.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.336 2.254 . . . . 0.0 113.376 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.44 -35.73 78.02 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.656 -0.653 . . . . 0.0 112.208 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.8 m -87.23 -29.13 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.887 0.875 . . . . 0.0 112.754 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 67.8 m -64.36 -39.19 93.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.124 -0.985 . . . . 0.0 111.645 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.76 51.98 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.96 -17.3 35.75 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 97.3 t -82.11 -41.51 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.301 0.955 . . . . 0.0 111.131 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.56 -43.03 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.561 -0.712 . . . . 0.0 110.754 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.01 -29.29 68.26 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.91 -44.84 91.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.524 1.056 . . . . 0.0 111.036 170.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.55 76.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.957 0.903 . . . . 0.0 111.901 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.48 -36.8 71.27 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.985 -1.072 . . . . 0.0 112.939 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -63.44 -32.69 74.21 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.535 -1.353 . . . . 0.0 111.88 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -69.84 -42.7 73.24 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.421 1.088 . . . . 0.0 111.819 170.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -52.69 -48.95 66.21 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.822 -1.174 . . . . 0.0 112.079 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.524 0.73 . . . . 0.0 111.833 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 33.3 tp -62.05 -38.37 88.52 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.173 0.989 . . . . 0.0 112.306 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -79.25 -39.48 33.0 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.718 0.69 . . . . 0.0 112.325 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -68.28 -49.29 61.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.546 1.538 . . . . 0.0 112.136 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.8 m -113.58 6.96 17.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.119 1.368 . . . . 0.0 113.481 -167.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 70.09 -18.02 0.24 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 129.867 3.267 . . . . 0.0 114.285 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -142.43 175.24 9.93 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 129.272 3.029 . . . . 0.0 109.353 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.44 52.13 1.12 Allowed 'General case' 0 CA--C 1.555 1.138 0 O-C-N 120.283 -1.51 . . . . 0.0 113.165 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . 71.13 -36.79 0.37 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 129.177 2.991 . . . . 0.0 115.394 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 37.6 m -66.95 -8.98 33.65 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -174.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 69.8 t80 -74.86 -17.46 60.59 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.349 1.46 . . . . 0.0 113.353 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--O 1.255 1.36 0 C-N-CA 125.94 1.696 . . . . 0.0 113.214 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.43 0.157 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -137.38 -18.21 1.29 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.688 1.195 . . . . 0.0 113.461 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -169.83 161.51 9.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.084 0.954 . . . . 0.0 110.922 -158.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.12 166.04 23.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.737 0.815 . . . . 0.0 112.623 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -117.97 158.07 25.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.692 1.597 . . . . 0.0 110.841 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.82 -31.53 70.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.34 -24.51 63.0 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.971 0.909 . . . . 0.0 113.239 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -80.17 -45.76 17.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.352 0.661 . . . . 0.0 109.94 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.44 -35.31 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.062 0.945 . . . . 0.0 111.561 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.66 70.65 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.2 1.0 . . . . 0.0 113.624 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.79 -38.89 20.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.1 0.96 . . . . 0.0 111.441 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -65.82 -33.11 75.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.728 0.811 . . . . 0.0 111.813 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 3.8 tppp? -55.81 -46.97 77.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.421 1.088 . . . . 0.0 111.415 170.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.62 -42.63 95.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.627 0.771 . . . . 0.0 111.447 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.59 80.66 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -66.94 -35.22 79.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.038 0.935 . . . . 0.0 112.229 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -61.55 -31.09 71.1 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.68 1.192 . . . . 0.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -27.99 67.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.455 -0.778 . . . . 0.0 112.06 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -92.59 -16.95 25.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.439 1.496 . . . . 0.0 112.944 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.02 72.0 4.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.111 1.364 . . . . 0.0 111.427 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -64.7 -31.17 72.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.387 1.075 . . . . 0.0 113.607 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.05 -16.64 35.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.875 1.27 . . . . 0.0 113.35 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 8.73 87.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.852 1.215 . . . . 0.0 114.372 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.93 -11.95 49.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.363 1.465 . . . . 0.0 113.47 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.53 27.97 12.19 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.325 1.441 . . . . 0.0 113.804 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -132.89 154.27 50.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.089 1.356 . . . . 0.0 112.565 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.81 164.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.283 1.833 . . . . 0.0 110.139 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -80.78 164.47 22.7 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.201 0.91 . . . . 0.0 110.656 165.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -63.44 -19.68 64.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.072 0.949 . . . . 0.0 111.464 170.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -74.15 -18.58 60.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.04 -9.91 23.31 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.742 1.617 . . . . 0.0 112.755 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.89 -49.94 75.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.013 0.925 . . . . 0.0 111.049 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.26 -26.34 70.46 Favored Glycine 0 N--CA 1.471 1.014 0 O-C-N 121.593 -0.692 . . . . 0.0 113.488 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -74.44 -48.58 26.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.887 1.275 . . . . 0.0 110.837 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -29.7 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.888 0.767 . . . . 0.0 112.814 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 mmt -56.98 -52.28 65.87 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.296 0.953 . . . . 0.0 111.173 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.71 -30.93 67.61 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.817 . . . . 0.0 112.76 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -66.83 -28.52 68.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.303 -0.873 . . . . 0.0 112.825 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.82 -0.15 54.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.136 1.374 . . . . 0.0 113.109 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 8.57 77.65 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.037 1.303 . . . . 0.0 114.627 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -82.72 149.54 27.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.736 1.268 . . . . 0.0 110.206 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -123.87 49.76 3.0 Favored Pre-proline 0 CA--C 1.557 1.217 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.41 150.24 80.68 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.768 2.312 . . . . 0.0 111.013 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -74.4 169.66 17.25 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 111.432 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.74 -32.97 67.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.808 0.443 . . . . 0.0 111.932 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.69 65.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.35 1.06 . . . . 0.0 112.397 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -69.24 -32.99 72.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.621 0.646 . . . . 0.0 112.06 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.41 -47.64 72.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.231 0.612 . . . . 0.0 111.145 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.11 -39.49 86.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.806 0.73 . . . . 0.0 111.834 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.44 -34.72 74.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.803 1.241 . . . . 0.0 113.28 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.7 mtm -78.99 -46.77 17.54 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.774 0.829 . . . . 0.0 111.555 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.24 -50.39 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.278 1.031 . . . . 0.0 111.23 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -21.78 65.96 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.718 1.144 . . . . 0.0 113.264 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.21 -47.95 46.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.66 0.784 . . . . 0.0 111.076 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.43 -31.97 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.836 0.744 . . . . 0.0 112.782 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.25 5.07 11.12 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.708 1.203 . . . . 0.0 113.611 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.21 -21.01 66.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.499 0.72 . . . . 0.0 112.391 167.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.15 -21.03 61.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.042 1.737 . . . . 0.0 113.152 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.15 72.62 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.233 1.397 . . . . 0.0 116.093 170.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -81.96 -11.81 58.68 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.484 1.642 . . . . 0.0 115.012 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.95 6.24 88.77 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 124.371 0.986 . . . . 0.0 115.532 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -128.74 163.63 24.72 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.797 . . . . 0.0 111.172 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.28 129.1 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.92 2.088 . . . . 0.0 108.312 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.24 158.79 16.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.58 1.152 . . . . 0.0 112.709 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 41.6 t80 -56.95 -48.5 97.32 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.851 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -54.09 -43.93 53.92 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.607 2.205 . . . . 0.0 114.286 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.54 -42.82 86.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.914 0.886 . . . . 0.0 112.067 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -56.6 -48.92 76.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.868 1.267 . . . . 0.0 111.246 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.6 -33.18 74.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.668 0.787 . . . . 0.0 112.891 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.0 m -65.92 -50.1 65.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.183 0.993 . . . . 0.0 111.013 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.54 -32.69 71.66 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.675 0.671 . . . . 0.0 112.669 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 46.8 mmm -61.59 -45.25 94.9 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.157 0.89 . . . . 0.0 112.403 171.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.11 92.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.475 1.11 . . . . 0.0 112.028 176.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -61.81 -30.02 70.54 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.088 0.955 . . . . 0.0 112.412 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -69.61 -21.87 63.54 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.062 -1.024 . . . . 0.0 113.744 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mmt -86.02 -7.5 58.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.75 1.22 . . . . 0.0 113.964 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -67.22 123.04 19.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.889 0.876 . . . . 0.0 113.214 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -149.4 70.3 1.07 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.085 2.154 . . . . 0.0 108.695 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.0 t -155.22 148.48 24.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.121 1.369 . . . . 0.0 111.266 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.84 172.03 9.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.618 1.967 . . . . 0.0 112.777 167.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 p -146.43 163.06 36.86 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.286 1.434 . . . . 0.0 111.31 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.56 -37.76 65.85 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.549 -0.719 . . . . 0.0 112.444 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.22 -42.69 79.4 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.557 0.743 . . . . 0.0 111.703 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.87 -42.22 90.63 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.44 -0.787 . . . . 0.0 110.953 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.8 mt -65.37 -43.73 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.744 0.818 . . . . 0.0 110.361 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -60.41 -43.47 96.68 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.528 0.604 . . . . 0.0 111.924 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.09 -34.55 78.29 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.311 0.505 . . . . 0.0 112.333 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.05 97.4 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.407 -0.808 . . . . 0.0 111.554 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -68.21 -35.29 77.75 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -63.03 -38.19 90.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.209 1.004 . . . . 0.0 111.851 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.2 t -57.89 -31.61 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.037 0.935 . . . . 0.0 111.943 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.31 -3.72 53.0 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -90.2 104.12 16.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.66 1.184 . . . . 0.0 109.699 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -76.27 -13.94 60.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.426 1.09 . . . . 0.0 113.37 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -112.22 -23.06 10.62 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.314 1.446 . . . . 0.0 113.433 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.98 18.3 75.18 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.623 1.106 . . . . 0.0 112.932 -171.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.92 -17.78 58.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.835 1.654 . . . . 0.0 114.642 -171.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.04 69.87 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.92 1.248 . . . . 0.0 113.505 -172.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -136.86 149.12 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.035 1.734 . . . . 0.0 112.047 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 pt -133.53 161.78 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.292 1.437 . . . . 0.0 111.145 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -76.21 141.8 41.68 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.881 -1.137 . . . . 0.0 111.962 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.7 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.503 -0.748 . . . . 0.0 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.39 80.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.574 0.749 . . . . 0.0 112.32 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.3 -49.1 68.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.862 0.865 . . . . 0.0 110.753 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -39.53 85.4 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 0.894 . . . . 0.0 111.903 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -62.52 -41.86 99.13 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.702 -0.624 . . . . 0.0 111.565 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -72.75 -43.05 63.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.219 1.007 . . . . 0.0 113.343 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -23.72 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.476 -1.39 . . . . 0.0 113.079 -173.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.6 mmt -81.08 -18.05 47.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.986 1.714 . . . . 0.0 114.071 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -115.65 -12.64 11.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.112 1.365 . . . . 0.0 113.695 -175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -101.17 -33.61 10.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.546 1.138 . . . . 0.0 114.046 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.9 mt -112.72 150.91 30.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.337 1.455 . . . . 0.0 112.419 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.69 -151.82 50.68 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.665 1.126 . . . . 0.0 113.475 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.15 142.48 50.71 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 160.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -93.43 138.77 31.42 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -167.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.52 153.06 25.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.029 0.931 . . . . 0.0 110.693 167.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -77.34 153.41 33.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.577 1.151 . . . . 0.0 112.128 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.53 -38.5 87.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.05 -29.44 67.58 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.68 0.792 . . . . 0.0 112.727 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.86 -47.1 9.99 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.575 1.15 . . . . 0.0 110.805 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.18 -32.89 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.89 1.223 . . . . 0.0 112.596 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.61 -36.3 83.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.207 -0.933 . . . . 0.0 112.116 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.93 -37.34 62.05 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.844 0.858 . . . . 0.0 111.566 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 54.8 ttm -53.97 -45.05 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.112 0.965 . . . . 0.0 111.325 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.8 mm -67.58 -51.36 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 122.999 0.52 . . . . 0.0 110.871 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -54.8 -42.9 72.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.709 0.804 . . . . 0.0 112.718 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -84.27 -11.22 56.81 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.4 -39.08 10.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.213 1.005 . . . . 0.0 112.649 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.15 -29.93 71.02 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.54 1.536 . . . . 0.0 113.122 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 pt -69.03 -17.52 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.566 1.146 . . . . 0.0 113.613 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.88 -7.1 19.61 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.032 1.733 . . . . 0.0 113.005 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -101.42 -149.39 22.71 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 127.01 2.243 . . . . 0.0 113.068 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -158.5 55.84 0.45 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.83 1.252 . . . . 0.0 110.968 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.93 -42.69 2.53 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.184 1.373 . . . . 0.0 112.139 -170.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -84.53 151.35 24.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 109.84 161.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.6 t -85.16 124.48 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.116 1.766 . . . . 0.0 110.018 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -80.62 67.39 6.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.555 1.542 . . . . 0.0 111.018 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -61.99 -31.32 71.67 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.6 -29.07 69.8 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.74 -42.11 18.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.634 0.774 . . . . 0.0 111.304 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.76 -31.43 70.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.901 0.88 . . . . 0.0 113.1 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 t -44.29 -50.34 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.138 1.375 . . . . 0.0 111.564 166.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -86.07 -30.86 22.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.693 0.797 . . . . 0.0 111.876 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.9 mtm -65.66 -24.23 66.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.691 0.678 . . . . 0.0 112.656 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.3 mtm -75.68 -44.27 43.16 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.658 0.783 . . . . 0.0 113.04 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.2 p -77.07 -28.49 54.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.767 0.827 . . . . 0.0 113.067 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.89 170.76 11.36 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.457 1.503 . . . . 0.0 113.194 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 127.359 2.263 . . . . 0.0 109.874 172.507 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 119.636 -0.535 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.03 164.7 32.79 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.73 2.953 . . . . 0.0 111.871 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 89.73 -16.74 55.87 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 114.938 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.3 m -66.41 -33.12 74.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.512 1.156 . . . . 0.0 111.235 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.6 -40.08 74.69 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.271 1.828 . . . . 0.0 112.665 173.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.98 -40.89 87.53 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.115 0.966 . . . . 0.0 112.276 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.1 m -81.38 -31.56 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.548 0.739 . . . . 0.0 112.767 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 71.4 m -61.56 -41.79 97.91 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.261 0.937 . . . . 0.0 111.789 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.64 58.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.503 1.121 . . . . 0.0 113.548 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -83.41 -21.29 33.04 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.6 t -76.46 -43.46 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.915 1.234 . . . . 0.0 111.247 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.97 -47.85 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 122.58 0.352 . . . . 0.0 110.767 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.18 -28.33 67.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.297 -0.859 . . . . 0.0 113.02 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.333 1.424 . . . . 0.0 111.466 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.04 76.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.758 0.823 . . . . 0.0 112.114 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -68.02 -40.83 82.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.233 0.613 . . . . 0.0 112.531 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.67 -45.8 90.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.371 1.068 . . . . 0.0 111.136 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -62.29 -41.48 98.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.17 -46.77 89.15 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.528 -0.732 . . . . 0.0 112.207 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.99 -34.82 75.91 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.196 -0.94 . . . . 0.0 112.893 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.724 0.81 . . . . 0.0 110.979 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -70.32 -13.8 62.31 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -86.92 -37.99 17.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.938 1.244 . . . . 0.0 111.953 164.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 70.6 m -81.86 -49.78 9.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -167.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 60.88 -64.27 0.06 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 129.318 3.047 . . . . 0.0 114.011 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.44 -46.99 87.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.478 1.911 . . . . 0.0 112.233 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -92.34 129.94 38.15 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.384 1.073 . . . . 0.0 109.51 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -166.54 177.33 6.72 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.082 1.353 . . . . 0.0 112.311 -166.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 78.6 p -135.59 159.91 40.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.902 1.681 . . . . 0.0 111.771 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.04 18.97 21.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.451 1.1 . . . . 0.0 113.834 -165.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.808 2.043 . . . . 0.0 113.776 -173.867 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.774 0.321 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.29 23.87 0.63 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.664 1.586 . . . . 0.0 113.02 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -147.17 155.84 42.47 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.555 1.542 . . . . 0.0 110.492 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.38 140.19 22.73 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.873 1.269 . . . . 0.0 112.852 173.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -111.02 160.21 17.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.7 -34.43 74.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.177 0.991 . . . . 0.0 112.714 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.25 -22.47 63.84 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.95 -44.92 14.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.141 0.977 . . . . 0.0 110.463 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.67 -32.6 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.417 1.487 . . . . 0.0 111.874 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.27 67.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 113.444 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -88.95 -41.88 12.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.372 1.069 . . . . 0.0 111.443 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -65.96 -29.26 69.62 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.633 -0.667 . . . . 0.0 112.73 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.1 tppt? -51.91 -44.36 63.79 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 112.231 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.92 -36.13 79.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.915 0.886 . . . . 0.0 111.815 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.98 -42.06 40.44 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.25 0.477 . . . . 0.0 112.016 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.83 -43.45 98.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.238 1.015 . . . . 0.0 112.361 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -69.13 -15.12 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -26.86 59.78 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.896 1.226 . . . . 0.0 111.767 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -95.0 -2.83 49.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.011 1.724 . . . . 0.0 113.38 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -79.27 69.95 5.58 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.415 1.886 . . . . 0.0 110.448 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.16 -29.87 70.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.875 1.27 . . . . 0.0 113.382 -174.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.55 -19.44 38.56 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.946 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 3.31 90.61 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.007 1.289 . . . . 0.0 114.927 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -89.23 -9.61 50.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.363 1.465 . . . . 0.0 113.478 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.81 27.46 9.59 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.006 1.288 . . . . 0.0 113.555 -176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -130.73 137.44 49.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.278 1.431 . . . . 0.0 111.256 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -100.22 159.13 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.366 0.667 . . . . 0.0 110.289 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -75.15 150.4 38.75 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.296 1.038 . . . . 0.0 112.371 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.57 -25.5 66.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.234 1.014 . . . . 0.0 113.385 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.87 -6.61 58.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.812 1.245 . . . . 0.0 113.433 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.03 -47.49 85.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.381 0.991 . . . . 0.0 110.816 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.98 -27.98 72.1 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.848 -0.532 . . . . 0.0 112.944 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -74.14 -49.9 21.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.184 0.994 . . . . 0.0 110.833 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.79 -32.82 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.295 0.952 . . . . 0.0 111.829 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -57.47 -51.86 67.73 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.094 0.861 . . . . 0.0 111.209 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -62.32 -40.22 95.62 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.086 0.954 . . . . 0.0 112.768 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -65.46 -26.33 67.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.956 -1.09 . . . . 0.0 113.442 175.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -92.7 12.66 22.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 0.0 112.973 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.74 78.62 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.796 1.189 . . . . 0.0 115.0 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -81.65 146.31 30.12 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.608 1.204 . . . . 0.0 109.693 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -122.16 36.91 0.29 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -67.99 150.71 78.02 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.258 1.972 . . . . 0.0 110.997 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -73.62 167.95 20.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.754 1.222 . . . . 0.0 111.423 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.11 -38.36 68.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.763 0.825 . . . . 0.0 111.844 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.143 0.977 . . . . 0.0 112.389 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.3 -33.89 73.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.713 0.805 . . . . 0.0 111.736 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -50.9 68.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.809 0.844 . . . . 0.0 110.814 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -62.95 -37.42 86.98 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.391 0.542 . . . . 0.0 112.039 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.59 -31.5 68.1 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.889 1.276 . . . . 0.0 113.438 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -82.74 -43.54 16.67 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.621 0.768 . . . . 0.0 111.547 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.4 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.178 0.991 . . . . 0.0 110.78 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -20.82 66.22 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -79.55 -48.29 14.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.417 1.087 . . . . 0.0 111.152 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.64 -30.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.346 0.976 . . . . 0.0 113.438 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.15 25.93 7.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.221 1.408 . . . . 0.0 112.835 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.26 63.51 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.634 1.173 . . . . 0.0 114.008 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.6 -7.37 58.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.166 1.387 . . . . 0.0 113.976 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.95 28.7 44.8 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.787 1.184 . . . . 0.0 114.697 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.25 -36.71 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.604 1.161 . . . . 0.0 112.686 -176.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.99 5.56 89.63 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.484 1.516 . . . . 0.0 113.527 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -143.67 159.12 43.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.431 1.892 . . . . 0.0 112.208 -170.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mt -129.91 127.46 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.852 1.661 . . . . 0.0 109.371 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -84.65 153.76 22.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.656 1.583 . . . . 0.0 111.589 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 23.3 t80 -51.15 -53.02 53.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -171.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.49 -28.75 53.58 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.326 2.018 . . . . 0.0 113.216 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -73.14 -37.34 66.65 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.926 0.89 . . . . 0.0 111.838 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -61.76 -44.72 96.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.402 1.081 . . . . 0.0 111.264 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.2 -23.68 67.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -57.76 -38.02 74.67 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.343 0.974 . . . . 0.0 111.539 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.0 mtt -66.06 -31.9 73.05 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.795 -0.566 . . . . 0.0 112.348 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -81.94 -37.8 26.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.894 1.278 . . . . 0.0 112.199 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.27 -39.38 72.55 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.069 1.348 . . . . 0.0 111.948 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.84 -31.68 72.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.427 1.491 . . . . 0.0 113.434 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -76.11 -37.35 58.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.999 -1.063 . . . . 0.0 112.223 175.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.6 mmt -90.35 -0.8 57.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.959 1.304 . . . . 0.0 114.388 -172.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -56.55 134.75 54.5 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.675 1.19 . . . . 0.0 112.341 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.18 21.89 2.25 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.597 1.959 . . . . 0.0 113.78 -170.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -73.31 157.04 37.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.105 1.362 . . . . 0.0 112.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.89 162.72 18.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.7 2.0 . . . . 0.0 113.816 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 p -152.21 158.08 42.37 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -60.34 -22.12 62.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.988 1.715 . . . . 0.0 113.021 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.86 -33.56 14.89 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.56 1.544 . . . . 0.0 112.164 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.54 -41.73 75.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.689 0.795 . . . . 0.0 111.447 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.36 -26.84 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.495 0.718 . . . . 0.0 111.21 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -57.34 -37.99 73.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.785 1.234 . . . . 0.0 113.901 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.6 -35.7 78.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.845 0.858 . . . . 0.0 112.049 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.32 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.536 0.734 . . . . 0.0 111.839 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.16 -38.86 78.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.843 -0.535 . . . . 0.0 112.027 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -65.03 -32.46 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.88 -23.67 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.303 1.41 . . . . 0.0 113.363 172.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -89.54 -9.47 49.8 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.025 0.93 . . . . 0.0 112.991 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -78.94 130.48 35.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.7 1.6 . . . . 0.0 109.865 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.22 -13.24 60.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.4 -17.08 0.48 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.7 41.69 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.735 1.16 . . . . 0.0 112.474 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.27 -18.51 61.21 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.748 1.619 . . . . 0.0 114.243 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.05 50.17 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 125.241 1.401 . . . . 0.0 113.578 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.02 149.52 46.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.039 1.336 . . . . 0.0 113.805 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -138.52 158.91 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 126.803 2.041 . . . . 0.0 109.787 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 t -70.07 140.95 52.86 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.08 -1.012 . . . . 0.0 112.122 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.14 75.27 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.434 -0.791 . . . . 0.0 112.344 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.73 75.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.428 0.691 . . . . 0.0 111.177 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.45 -44.95 93.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.476 0.71 . . . . 0.0 110.722 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.04 -41.74 88.6 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.972 0.806 . . . . 0.0 111.483 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -64.36 -41.54 96.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.841 0.746 . . . . 0.0 112.056 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -72.98 -46.41 52.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.126 0.97 . . . . 0.0 113.007 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.27 -26.84 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.323 -1.486 . . . . 0.0 111.946 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.5 mmt -74.54 -16.65 60.82 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.4 p -109.2 -24.64 11.03 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.564 1.074 . . . . 0.0 112.649 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -91.21 -42.39 10.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.21 137.34 34.41 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.771 1.228 . . . . 0.0 110.872 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.24 -153.71 51.16 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.682 1.134 . . . . 0.0 113.403 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.36 163.02 19.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.474 0.71 . . . . 0.0 111.288 165.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.95 135.71 33.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.72 -1.238 . . . . 0.0 113.624 -172.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 tp -91.01 132.09 36.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 108.613 160.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -70.48 156.46 39.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.168 0.987 . . . . 0.0 110.42 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.36 -43.66 79.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.581 0.752 . . . . 0.0 111.703 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.25 -23.51 65.7 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.545 1.138 . . . . 0.0 113.354 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -83.72 -56.41 3.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.867 1.267 . . . . 0.0 109.907 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.02 -35.68 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.561 -0.712 . . . . 0.0 112.157 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -67.15 -30.68 70.73 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.418 1.008 . . . . 0.0 111.539 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.83 -36.11 42.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.206 1.002 . . . . 0.0 111.896 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttm -55.33 -44.62 76.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.737 0.815 . . . . 0.0 110.909 168.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.2 mm -70.3 -42.74 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.401 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -54.21 -41.74 68.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.44 1.018 . . . . 0.0 112.837 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.82 -5.46 59.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.34 -45.16 6.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 112.581 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.58 -27.25 68.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.861 1.664 . . . . 0.0 113.575 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.2 pt -70.56 -12.97 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 113.739 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -116.34 -43.64 2.93 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.358 1.463 . . . . 0.0 112.433 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -110.99 111.67 3.04 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.334 1.445 . . . . 0.0 111.714 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.34 107.8 11.22 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.337 1.055 . . . . 0.0 111.23 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.66 -48.2 2.57 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.614 1.578 . . . . 0.0 113.76 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -99.07 131.26 45.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.227 1.411 . . . . 0.0 110.186 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.8 124.47 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.292 1.837 . . . . 0.0 108.836 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -78.63 92.71 4.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 163.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -68.38 -26.35 65.53 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.296 -0.878 . . . . 0.0 113.117 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.513 0.725 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.49 -35.21 18.33 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.54 0.736 . . . . 0.0 112.312 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.9 -43.32 98.69 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.284 -0.885 . . . . 0.0 112.516 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -34.08 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.134 0.574 . . . . 0.0 112.351 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.01 -36.38 79.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.597 0.759 . . . . 0.0 110.948 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.4 mtm -69.95 -47.09 63.74 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -79.7 -19.34 49.17 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.9 p -75.63 -19.96 58.84 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 119.807 1.185 . . . . 0.0 112.768 170.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.3 -171.27 2.9 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.79 1.636 . . . . 0.0 112.294 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.356 1.862 . . . . 0.0 110.627 178.019 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 CA-C-O 119.546 -0.586 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.74 163.66 37.81 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.018 3.146 . . . . 0.0 111.589 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -80.99 126.02 7.17 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.607 0.622 . . . . 0.0 111.598 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 38.8 m -67.55 -33.71 75.59 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.082 0.953 . . . . 0.0 111.51 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -54.22 -39.84 67.11 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.973 2.109 . . . . 0.0 112.278 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.15 78.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.468 1.107 . . . . 0.0 111.276 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.3 m -81.72 -26.85 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.018 0.927 . . . . 0.0 112.543 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 41.7 m -64.64 -46.16 83.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.013 0.925 . . . . 0.0 112.537 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.98 -39.83 59.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.562 0.745 . . . . 0.0 112.349 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.1 mtm -66.71 -20.07 65.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.388 1.075 . . . . 0.0 113.861 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.0 t -73.24 -35.96 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.69 1.132 . . . . 0.0 111.121 176.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.64 -39.33 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.937 0.895 . . . . 0.0 110.058 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.92 -49.1 76.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.035 0.934 . . . . 0.0 112.006 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -64.25 -33.73 76.48 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.051 0.841 . . . . 0.0 112.942 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.82 70.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.866 0.866 . . . . 0.0 111.442 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.73 -38.95 93.03 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.626 0.771 . . . . 0.0 112.28 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.25 -38.25 81.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.626 0.771 . . . . 0.0 112.894 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -66.33 -36.88 84.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.871 0.869 . . . . 0.0 111.69 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.74 0.816 . . . . 0.0 111.51 170.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.24 -39.46 86.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.826 0.85 . . . . 0.0 113.27 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.24 -41.54 75.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -83.38 -28.69 28.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.74 0.816 . . . . 0.0 112.876 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.26 -37.99 25.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.112 1.365 . . . . 0.0 113.196 -176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.9 m -98.07 -15.36 20.03 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 69.43 -55.19 0.58 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.261 3.425 . . . . 0.0 112.175 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -75.38 145.51 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.448 1.099 . . . . 0.0 110.553 166.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -162.95 152.6 15.55 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.876 1.271 . . . . 0.0 111.284 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -61.19 140.87 57.83 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.742 0.817 . . . . 0.0 111.929 173.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 38.2 m 70.99 -22.98 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 127.487 2.315 . . . . 0.0 114.469 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 88.9 t80 -78.41 -43.01 28.51 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.407 1.483 . . . . 0.0 111.559 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.864 1.666 . . . . 0.0 110.57 174.482 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.531 0.205 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.9 1.86 3.06 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.546 1.538 . . . . 0.0 113.985 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -142.76 -179.26 6.22 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.842 1.657 . . . . 0.0 111.541 -172.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.96 141.16 50.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.508 1.923 . . . . 0.0 113.008 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -108.17 160.02 16.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.255 1.022 . . . . 0.0 112.55 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.97 -35.02 72.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.802 0.841 . . . . 0.0 112.931 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.08 -21.59 63.13 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -82.45 -45.64 14.5 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.347 -0.846 . . . . 0.0 110.448 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -55.84 -37.68 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.253 1.421 . . . . 0.0 111.636 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -25.35 68.34 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.037 . . . . 0.0 113.612 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.23 -43.29 10.5 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.284 1.034 . . . . 0.0 111.186 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.75 -26.97 68.89 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.16 -37.87 75.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.462 0.705 . . . . 0.0 112.422 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.46 -40.38 81.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.286 0.634 . . . . 0.0 111.448 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.17 74.89 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.982 0.513 . . . . 0.0 112.326 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.53 -39.03 88.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.85 0.86 . . . . 0.0 111.763 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.6 t -65.79 -26.65 67.79 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -23.03 61.44 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.866 -1.146 . . . . 0.0 112.421 178.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.4 m-85 -94.76 -6.5 42.89 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.415 1.886 . . . . 0.0 113.407 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.98 71.17 9.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.363 1.465 . . . . 0.0 109.96 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.21 -22.21 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.73 -21.61 37.83 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 9.39 86.82 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.802 1.191 . . . . 0.0 114.181 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.2 -10.34 50.12 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.721 1.608 . . . . 0.0 113.478 -174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.84 19.44 31.5 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.139 1.352 . . . . 0.0 113.92 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -131.92 158.65 40.84 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.798 1.639 . . . . 0.0 111.518 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -120.98 161.82 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.639 1.176 . . . . 0.0 110.755 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 p -80.41 155.43 27.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.665 0.786 . . . . 0.0 111.29 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -61.4 -30.03 70.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 0.0 112.326 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.54 -34.02 77.28 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.35 1.06 . . . . 0.0 113.25 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -88.27 -9.95 51.23 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.342 1.057 . . . . 0.0 113.481 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.55 -48.01 72.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.765 0.826 . . . . 0.0 111.239 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -24.9 67.86 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.005 0.812 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -76.03 -42.71 47.02 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.324 1.45 . . . . 0.0 110.959 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.5 t -63.29 -39.61 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.015 0.825 . . . . 0.0 111.055 172.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.1 mmt -58.28 -55.12 39.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.827 0.851 . . . . 0.0 111.725 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -67.08 -28.54 68.27 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -67.51 -25.84 66.05 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.22 7.28 46.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.714 2.005 . . . . 0.0 112.923 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.72 8.0 85.15 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.14 1.352 . . . . 0.0 115.319 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -92.49 123.48 35.83 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.018 1.409 . . . . 0.0 109.278 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.48 81.94 18.57 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.971 0.908 . . . . 0.0 111.307 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.53 160.49 38.36 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.392 2.728 . . . . 0.0 111.496 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -73.3 169.13 17.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.786 0.834 . . . . 0.0 110.381 163.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.57 -36.73 72.08 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.695 -0.628 . . . . 0.0 111.91 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.74 59.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.055 0.942 . . . . 0.0 112.249 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -31.13 69.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.871 0.868 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.63 -49.14 67.23 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.73 -36.54 81.27 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.357 0.663 . . . . 0.0 112.059 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.63 -37.11 82.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.926 1.291 . . . . 0.0 113.315 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.8 mtm -72.58 -43.4 63.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.517 0.599 . . . . 0.0 111.29 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.72 -58.88 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.942 0.897 . . . . 0.0 111.181 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -64.84 -18.21 64.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.918 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.81 -28.57 62.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.63 1.172 . . . . 0.0 112.706 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 m -102.49 -30.45 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.44 1.018 . . . . 0.0 113.542 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -91.21 26.71 2.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.917 1.687 . . . . 0.0 112.191 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.28 -23.28 66.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.839 1.256 . . . . 0.0 113.746 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.54 -9.59 59.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.188 1.395 . . . . 0.0 113.676 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.2 16.85 70.78 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.843 1.211 . . . . 0.0 115.166 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.84 -27.22 65.64 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.844 1.322 . . . . 0.0 114.246 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.89 7.6 87.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.209 1.385 . . . . 0.0 113.461 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -140.17 154.9 47.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.585 1.954 . . . . 0.0 110.824 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.9 mt -121.94 130.24 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.802 1.641 . . . . 0.0 108.696 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -92.99 153.37 18.78 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.268 1.427 . . . . 0.0 110.631 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.72 -49.29 84.06 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.93 -23.59 54.35 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.267 1.978 . . . . 0.0 113.863 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.99 -43.4 44.62 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.75 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -39.26 73.21 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.331 1.052 . . . . 0.0 111.685 168.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.62 -25.56 63.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.09 -1.006 . . . . 0.0 113.58 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.6 m -66.55 -44.34 82.61 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.63 1.105 . . . . 0.0 111.243 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -71.61 -13.1 61.66 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -82.67 -48.02 11.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.325 1.05 . . . . 0.0 110.476 169.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.65 80.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.439 1.496 . . . . 0.0 113.688 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -70.33 -19.1 63.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -74.81 -31.95 61.84 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 44.4 mtt -96.48 3.03 53.01 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -162.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -60.51 142.26 55.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.619 1.168 . . . . 0.0 114.067 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.45 -8.86 28.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.001 1.32 . . . . 0.0 113.56 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -83.1 -179.17 7.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.93 1.692 . . . . 0.0 113.001 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -150.3 158.1 43.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.941 2.496 . . . . 0.0 109.835 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 t -77.46 118.45 19.91 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.457 -0.777 . . . . 0.0 111.933 -170.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.98 -28.65 69.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.342 0.657 . . . . 0.0 112.037 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.24 -46.66 73.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.444 0.698 . . . . 0.0 110.635 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.28 -41.12 96.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.024 0.53 . . . . 0.0 111.1 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.41 -42.27 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.417 1.087 . . . . 0.0 111.353 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -74.79 -43.3 55.45 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.939 0.791 . . . . 0.0 112.335 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.99 -20.43 65.88 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.809 -1.182 . . . . 0.0 113.177 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.95 -19.67 65.3 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 171.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -85.13 -27.51 26.17 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.425 1.012 . . . . 0.0 113.3 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -69.31 -26.19 64.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.7 -14.52 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 169.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.03 7.89 30.05 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.814 1.646 . . . . 0.0 112.812 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -154.3 65.95 0.7 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.735 2.014 . . . . 0.0 109.886 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.15 -11.94 61.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -172.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -76.3 -17.63 59.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.272 1.429 . . . . 0.0 112.7 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 22.16 72.19 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.701 1.143 . . . . 0.0 114.421 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.46 -28.17 67.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.862 1.265 . . . . 0.0 114.063 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 4.91 61.32 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.42 1.486 . . . . 0.0 113.938 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -134.03 150.59 51.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.049 1.339 . . . . 0.0 113.288 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 pt -140.92 156.06 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.469 1.908 . . . . 0.0 110.356 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m -74.21 143.61 45.08 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.477 -0.764 . . . . 0.0 112.005 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.12 79.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.622 -0.673 . . . . 0.0 112.35 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.81 76.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.392 1.077 . . . . 0.0 113.009 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.4 -48.1 57.72 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.725 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 tp -58.59 -47.49 84.11 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.718 -0.614 . . . . 0.0 110.882 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.7 ttp-105 -56.58 -39.51 73.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.242 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.54 -45.24 84.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.421 -0.8 . . . . 0.0 112.73 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -54.91 -51.0 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.365 1.438 . . . . 0.0 110.13 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -20.37 65.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.0 p -114.39 -14.39 12.2 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -107.09 -51.68 2.88 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.573 1.079 . . . . 0.0 112.955 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -88.0 143.81 26.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.687 1.195 . . . . 0.0 112.293 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.06 -157.14 46.83 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.321 1.439 . . . . 0.0 113.511 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.52 146.38 50.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.178 0.591 . . . . 0.0 109.952 162.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -91.29 148.34 22.41 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.3 tp -88.24 140.33 29.59 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.92 1.288 . . . . 0.0 109.275 166.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -70.45 155.89 40.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.247 1.019 . . . . 0.0 110.792 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.55 -40.44 68.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.746 1.218 . . . . 0.0 113.074 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.21 -39.45 68.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.752 0.821 . . . . 0.0 112.075 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -66.85 -46.47 74.96 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.063 1.345 . . . . 0.0 110.917 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.16 -32.79 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.371 0.987 . . . . 0.0 112.086 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.28 -43.85 89.85 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 171.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.85 -38.79 92.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.914 0.886 . . . . 0.0 111.662 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttm -58.68 -52.52 65.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.641 0.776 . . . . 0.0 111.081 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.0 mm -65.42 -40.09 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -54.48 -44.09 72.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.141 0.976 . . . . 0.0 112.057 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.84 -24.12 41.52 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.44 -43.15 9.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.35 -26.28 63.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.791 1.236 . . . . 0.0 113.655 -172.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.82 -10.57 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.91 -19.5 60.11 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.207 1.003 . . . . 0.0 113.008 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -149.24 -132.03 2.04 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.533 1.54 . . . . 0.0 112.384 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -153.94 105.28 2.73 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.15 1.38 . . . . 0.0 110.312 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.95 -8.84 34.78 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.775 1.655 . . . . 0.0 114.661 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -122.33 143.66 49.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.991 1.716 . . . . 0.0 111.1 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.37 126.68 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.52 1.928 . . . . 0.0 108.489 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.02 100.72 9.89 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 160.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -71.53 -26.27 62.58 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.08 -54.9 41.82 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 111.619 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.65 -23.38 59.85 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.763 -0.586 . . . . 0.0 112.347 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.17 -38.43 91.16 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.148 -0.97 . . . . 0.0 111.838 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.87 -40.84 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.906 0.775 . . . . 0.0 111.723 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.9 -32.46 73.98 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.617 0.644 . . . . 0.0 111.701 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.4 mtm -70.71 -39.66 73.31 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.352 -0.843 . . . . 0.0 112.35 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.34 -35.44 79.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.7 p -74.37 -23.02 58.93 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.012 0.824 . . . . 0.0 112.341 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.29 -178.25 5.58 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.636 1.574 . . . . 0.0 112.879 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.336 1.854 . . . . 0.0 109.92 171.065 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.36 159.88 45.89 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.526 3.484 . . . . 0.0 111.986 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.6 17.35 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.542 1.544 . . . . 0.0 113.109 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 51.0 m -68.52 -33.99 75.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 111.142 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -54.02 -43.55 70.21 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.217 2.207 . . . . 0.0 111.626 173.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.808 0.843 . . . . 0.0 112.446 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.4 m -86.61 -32.49 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.9 m -62.82 -38.81 92.22 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.387 -0.821 . . . . 0.0 112.181 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.33 14.24 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.439 1.495 . . . . 0.0 114.093 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.6 mtm -85.67 -24.53 27.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.771 1.228 . . . . 0.0 113.525 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 40.3 t -76.0 -30.88 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.106 0.866 . . . . 0.0 111.295 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.84 -42.05 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.883 0.873 . . . . 0.0 110.372 170.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -70.16 -34.24 72.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.069 0.948 . . . . 0.0 111.592 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -61.17 -20.98 63.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.689 1.596 . . . . 0.0 113.421 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.39 8.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.668 1.587 . . . . 0.0 112.468 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -65.59 -45.24 83.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -65.32 -34.87 79.35 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.998 -0.438 . . . . 0.0 111.755 175.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -67.59 -40.71 84.77 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.633 1.573 . . . . 0.0 112.104 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.03 -48.77 80.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.038 1.335 . . . . 0.0 112.298 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.2 mt -58.44 -37.36 75.25 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.538 0.735 . . . . 0.0 112.04 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.42 -32.17 73.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.928 0.891 . . . . 0.0 112.76 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -69.0 -40.24 78.84 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.392 0.996 . . . . 0.0 110.685 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -76.55 -35.32 58.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.869 1.267 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 40.2 m -86.16 -22.87 26.8 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 66.2 -53.21 0.41 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 130.565 3.546 . . . . 0.0 111.929 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.11 143.27 39.31 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.442 1.497 . . . . 0.0 111.808 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -77.49 -28.0 52.09 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -164.7 174.96 10.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.903 2.081 . . . . 0.0 111.058 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 35.2 m -64.19 143.49 57.84 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.831 0.852 . . . . 0.0 112.646 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 85.3 t80 -73.32 -32.36 64.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.952 0.901 . . . . 0.0 112.866 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 C--O 1.251 1.135 0 C-N-CA 126.573 1.949 . . . . 0.0 111.241 -175.905 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -134.35 -1.99 2.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.327 1.451 . . . . 0.0 113.754 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -160.27 124.75 3.75 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.935 1.294 . . . . 0.0 110.501 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.61 155.61 25.63 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.717 1.207 . . . . 0.0 113.068 168.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -89.7 156.91 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 111.793 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -57.75 -36.88 72.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.001 0.921 . . . . 0.0 112.384 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.7 -21.86 62.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.065 0.946 . . . . 0.0 113.449 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -82.28 -44.77 15.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.963 0.802 . . . . 0.0 110.328 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.25 -38.2 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.32 1.048 . . . . 0.0 111.775 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.78 67.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.201 1.0 . . . . 0.0 113.196 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.19 -44.69 11.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.805 0.842 . . . . 0.0 111.39 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -66.97 -27.17 67.24 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.629 -0.67 . . . . 0.0 112.523 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.87 -41.13 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.127 0.971 . . . . 0.0 112.815 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.64 -40.87 84.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.594 0.758 . . . . 0.0 111.704 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.78 82.28 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.767 -0.583 . . . . 0.0 112.557 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.01 -36.32 82.96 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.781 0.832 . . . . 0.0 111.799 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 t -61.23 -32.25 72.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -19.45 60.5 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.022 -1.049 . . . . 0.0 113.387 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.54 -13.57 21.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.455 1.502 . . . . 0.0 112.993 173.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.96 62.19 1.59 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.172 1.789 . . . . 0.0 110.435 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.59 -16.3 61.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.458 1.503 . . . . 0.0 113.28 -171.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.67 -20.92 35.26 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.644 1.578 . . . . 0.0 113.311 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 8.72 86.97 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.658 1.599 . . . . 0.0 114.463 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.04 -11.28 39.26 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.474 1.509 . . . . 0.0 113.67 -172.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 23.44 16.54 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.17 1.366 . . . . 0.0 113.877 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -135.07 144.16 47.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.909 1.684 . . . . 0.0 111.706 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -105.84 160.99 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.34 1.056 . . . . 0.0 109.724 165.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -78.02 154.43 31.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.158 0.435 . . . . 0.0 110.398 163.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -58.09 -30.63 66.39 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.367 1.067 . . . . 0.0 112.488 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.68 -32.5 74.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.813 1.245 . . . . 0.0 113.199 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.43 -8.9 58.15 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.826 0.85 . . . . 0.0 112.76 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.7 -48.35 81.17 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.52 -1.362 . . . . 0.0 112.022 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.21 63.3 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 118.941 -0.922 . . . . 0.0 112.691 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -81.55 -43.28 18.95 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.969 1.708 . . . . 0.0 111.481 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.54 -33.54 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.385 1.448 . . . . 0.0 111.876 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.2 mtp -68.83 -31.43 70.4 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.68 -0.637 . . . . 0.0 112.406 173.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -74.22 -34.76 63.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.247 -0.908 . . . . 0.0 112.501 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -66.06 -28.75 69.08 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.352 -0.842 . . . . 0.0 112.724 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.78 0.41 54.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.611 1.564 . . . . 0.0 112.995 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.34 12.09 82.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.392 1.472 . . . . 0.0 115.51 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.31 -37.88 31.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.799 1.299 . . . . 0.0 111.85 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 55.67 56.49 10.19 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 126.273 1.829 . . . . 0.0 112.614 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.34 141.12 46.02 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.8 2.333 . . . . 0.0 111.309 -169.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -63.55 146.6 53.37 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.547 1.139 . . . . 0.0 109.947 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.74 -41.12 90.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.715 0.806 . . . . 0.0 112.8 -170.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.94 84.76 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -69.25 -44.96 70.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.191 0.997 . . . . 0.0 110.753 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.04 -51.79 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.333 1.453 . . . . 0.0 111.367 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.19 -37.42 87.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.005 0.366 . . . . 0.0 111.974 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.51 -31.35 72.02 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.931 -1.106 . . . . 0.0 112.984 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.63 -37.9 70.82 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.335 0.654 . . . . 0.0 111.133 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.61 -45.96 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 109.809 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.48 -29.32 64.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.28 -51.43 37.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.709 0.804 . . . . 0.0 111.054 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.7 -24.09 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -103.02 23.36 12.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.859 1.664 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.0 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -89.31 -4.92 57.93 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.636 1.575 . . . . 0.0 113.875 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.97 25.71 59.49 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.595 1.093 . . . . 0.0 114.496 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -62.2 -34.7 76.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.616 1.166 . . . . 0.0 113.838 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.83 89.32 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 126.149 1.833 . . . . 0.0 113.659 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.0 p -138.25 159.5 41.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.919 1.688 . . . . 0.0 112.48 -170.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.68 127.75 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.505 1.922 . . . . 0.0 107.587 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.02 163.02 17.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.032 0.933 . . . . 0.0 112.428 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -57.21 -51.63 80.2 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-O 116.673 -1.632 . . . . 0.0 114.547 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 -30.72 46.82 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 122.135 1.798 . . . . 0.0 113.486 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.47 -40.44 85.3 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.484 1.493 . . . . 0.0 112.087 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -60.1 -45.69 92.12 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.5 0.72 . . . . 0.0 111.754 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.2 -31.67 72.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.646 0.778 . . . . 0.0 112.86 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -70.91 -31.16 67.7 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -67.52 -49.23 64.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.267 0.939 . . . . 0.0 111.125 166.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mmm -59.67 -40.91 89.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.499 1.12 . . . . 0.0 113.186 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.95 65.04 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.652 1.581 . . . . 0.0 113.714 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -80.15 -21.16 43.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.316 . . . . 0.0 113.437 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -83.51 -36.39 24.12 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.199 -0.938 . . . . 0.0 113.017 172.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.4 mmt -77.26 167.06 22.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.058 1.343 . . . . 0.0 112.382 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -102.35 147.5 26.63 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.871 1.269 . . . . 0.0 111.976 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -96.44 -16.79 21.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.524 1.13 . . . . 0.0 113.773 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -61.87 145.63 52.18 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.087 1.355 . . . . 0.0 112.104 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.68 145.11 55.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.669 1.588 . . . . 0.0 112.422 -175.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.8 m -72.6 125.39 27.35 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -164.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.73 -40.34 79.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.049 1.339 . . . . 0.0 112.76 -170.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.28 -33.26 69.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.458 0.703 . . . . 0.0 112.711 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -71.15 -38.93 72.2 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.598 -0.689 . . . . 0.0 110.532 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.98 -45.07 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.98 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -61.91 -43.94 97.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.616 . . . . 0.0 112.593 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.48 -32.59 74.29 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.26 0.624 . . . . 0.0 112.529 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.51 87.57 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.12 -0.987 . . . . 0.0 111.979 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -69.19 -35.92 76.76 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -69.8 -32.76 71.4 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.394 0.677 . . . . 0.0 112.738 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.91 -31.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.072 -1.018 . . . . 0.0 111.283 168.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.12 9.93 31.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.832 1.253 . . . . 0.0 114.094 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -143.32 66.87 1.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.07 1.748 . . . . 0.0 110.403 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -63.98 -14.09 51.3 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.66 -17.16 52.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.34 1.456 . . . . 0.0 113.162 173.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.32 23.19 76.32 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.423 1.011 . . . . 0.0 113.858 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -68.46 -26.22 65.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.735 1.214 . . . . 0.0 114.128 -175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.18 69.83 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.48 1.514 . . . . 0.0 113.797 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.29 151.61 45.23 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.78 1.632 . . . . 0.0 112.036 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.64 160.58 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.407 1.883 . . . . 0.0 109.601 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -74.01 146.46 43.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.594 -1.316 . . . . 0.0 111.695 173.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.17 84.34 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.978 -1.076 . . . . 0.0 112.238 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.16 73.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.6 0.76 . . . . 0.0 111.619 173.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.51 -46.97 85.99 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.611 1.164 . . . . 0.0 111.154 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.78 96.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.953 0.901 . . . . 0.0 111.03 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -59.15 -42.68 91.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.328 0.513 . . . . 0.0 111.679 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -69.93 -46.34 65.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.956 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -22.34 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.849 -1.157 . . . . 0.0 112.116 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.77 -18.45 54.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.908 2.083 . . . . 0.0 114.559 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.5 p -116.74 13.95 15.22 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.961 1.304 . . . . 0.0 114.232 -172.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -4.12 0.76 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.01 145.12 51.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.395 1.478 . . . . 0.0 111.144 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.38 -79.99 1.03 Allowed Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.5 1.048 . . . . 0.0 111.542 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.59 149.38 27.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.922 2.089 . . . . 0.0 108.257 164.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -74.47 116.13 14.8 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.34 -0.85 . . . . 0.0 111.223 -174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.81 139.51 56.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.803 1.241 . . . . 0.0 110.313 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.5 150.66 48.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.479 1.112 . . . . 0.0 110.734 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.59 -39.18 90.28 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.14 -28.77 67.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.904 0.882 . . . . 0.0 112.831 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.81 -53.34 8.04 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.817 0.847 . . . . 0.0 109.631 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.61 -32.83 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.617 -0.677 . . . . 0.0 112.243 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.86 -36.92 85.52 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.06 -1.025 . . . . 0.0 111.728 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.34 -35.44 63.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.754 0.422 . . . . 0.0 111.638 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.5 ttm -57.52 -39.61 76.94 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 111.688 171.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mm -71.37 -44.65 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.186 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -57.05 -42.79 81.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.884 1.22 . . . . 0.0 111.908 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -74.98 -8.77 57.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.17 -43.3 7.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 112.186 171.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.95 -8.39 36.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 114.21 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 pt -66.63 -18.65 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.03 -1.044 . . . . 0.0 113.684 163.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -122.32 -32.79 3.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.536 1.534 . . . . 0.0 112.77 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.09 179.11 51.92 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.034 1.302 . . . . 0.0 114.267 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -163.23 75.14 0.38 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.629 1.571 . . . . 0.0 110.008 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.55 -45.63 2.68 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 125.256 1.408 . . . . 0.0 112.102 -172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -88.43 133.57 34.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.943 1.297 . . . . 0.0 109.146 160.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.6 t -92.61 125.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 127.266 2.226 . . . . 0.0 108.721 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -77.97 87.91 4.14 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -67.57 -27.28 66.8 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.252 -0.905 . . . . 0.0 113.104 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.59 -44.75 95.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.303 0.641 . . . . 0.0 111.277 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -69.77 -38.52 76.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.395 0.678 . . . . 0.0 111.565 171.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -62.04 -34.75 76.81 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.41 -50.06 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.11 0.868 . . . . 0.0 110.742 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -72.67 -26.95 61.81 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.608 0.763 . . . . 0.0 112.517 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -75.63 -35.23 60.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.668 0.667 . . . . 0.0 112.421 171.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.0 ttp -78.33 -31.92 48.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.591 1.156 . . . . 0.0 113.482 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.1 p -76.0 -8.88 57.99 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -76.88 -176.19 3.81 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.556 1.542 . . . . 0.0 112.646 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? . . . . . 0 C--O 1.254 1.314 0 C-N-CA 126.436 1.894 . . . . 0.0 112.169 178.864 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 CA-C-O 119.075 -0.847 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -56.34 161.19 9.66 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 125.223 3.949 . . . . 0.0 114.318 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -70.37 145.24 40.45 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 123.576 0.608 . . . . 0.0 113.25 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -66.77 -42.63 85.78 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.017 -0.696 . . . . 0.0 110.854 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.1 -40.0 92.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.66 1.584 . . . . 0.0 112.055 171.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.43 -45.59 75.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.569 0.748 . . . . 0.0 111.533 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.9 m -72.19 -30.95 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.907 0.776 . . . . 0.0 112.258 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.6 m -63.2 -44.14 96.17 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.146 -0.971 . . . . 0.0 111.804 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.22 70.81 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.5 mtm -75.86 -47.09 26.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.683 0.793 . . . . 0.0 112.352 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.2 t -62.6 -37.83 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.253 1.021 . . . . 0.0 111.887 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.53 -49.79 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.611 0.641 . . . . 0.0 111.638 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -75.7 -25.81 56.99 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -56.83 -49.75 74.48 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.136 0.975 . . . . 0.0 110.727 169.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.45 94.64 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.799 0.84 . . . . 0.0 112.249 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.36 -41.22 94.05 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.775 0.43 . . . . 0.0 112.026 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.95 -34.25 73.18 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.409 -0.807 . . . . 0.0 112.639 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -60.56 -47.27 86.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.615 1.166 . . . . 0.0 110.616 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.4 -47.96 83.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.407 1.083 . . . . 0.0 112.73 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.63 -46.11 87.81 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.045 0.938 . . . . 0.0 112.497 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.62 1.168 . . . . 0.0 112.025 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -72.87 -22.54 60.76 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -75.95 -41.83 50.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.954 0.902 . . . . 0.0 112.004 170.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 33.8 m -92.28 -26.46 18.13 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 58.84 18.56 6.2 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.102 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.75 -9.83 40.88 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -167.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -74.66 -24.92 58.88 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.08 0.952 . . . . 0.0 113.219 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -79.48 151.72 30.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.09 0.956 . . . . 0.0 112.266 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 41.4 m -78.64 129.09 34.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.811 0.844 . . . . 0.0 111.901 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -96.86 -8.05 31.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.182 0.993 . . . . 0.0 113.265 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.255 1.346 0 C-N-CA 126.083 1.753 . . . . 0.0 112.745 179.305 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -103.55 -9.35 19.33 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.405 1.482 . . . . 0.0 112.787 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -155.03 -171.46 3.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.815 2.446 . . . . 0.0 109.221 -164.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.2 134.88 38.92 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 112.333 175.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -91.62 162.63 14.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.27 -36.52 82.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.53 0.732 . . . . 0.0 112.35 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.89 -26.61 60.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.49 -48.83 53.84 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 118.591 0.632 . . . . 0.0 110.591 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.13 -41.8 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.276 1.03 . . . . 0.0 111.284 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -26.99 68.66 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.48 -45.52 14.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 110.575 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -65.96 -28.07 68.63 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.523 0.729 . . . . 0.0 112.344 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -54.29 -38.61 66.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 112.504 170.751 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.67 -27.15 37.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.537 1.135 . . . . 0.0 112.263 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.07 -35.4 59.42 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.408 -0.807 . . . . 0.0 111.923 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -71.89 -38.02 70.05 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.486 1.114 . . . . 0.0 112.675 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -67.76 -26.34 66.07 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.35 -22.13 61.94 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.404 -0.81 . . . . 0.0 113.103 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -96.81 -12.57 23.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.614 1.565 . . . . 0.0 113.109 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.07 58.55 2.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.783 1.633 . . . . 0.0 110.424 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -71.9 -21.51 61.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.666 1.186 . . . . 0.0 113.032 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.33 -19.29 39.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.063 1.345 . . . . 0.0 113.102 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.68 7.3 87.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.852 1.215 . . . . 0.0 115.186 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.91 -13.2 56.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.134 1.374 . . . . 0.0 113.967 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 18.54 32.06 Favored Glycine 0 N--CA 1.473 1.123 0 C-N-CA 125.063 1.316 . . . . 0.0 113.856 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -127.66 155.73 43.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.465 1.906 . . . . 0.0 111.458 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 pt -113.55 160.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 109.675 162.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -78.46 159.6 28.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.303 0.573 . . . . 0.0 111.481 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 p -61.66 -29.92 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.071 0.949 . . . . 0.0 112.474 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -73.15 -32.95 65.21 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.21 -13.72 59.52 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.0 0.92 . . . . 0.0 113.433 175.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.3 -48.37 74.2 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.243 0.929 . . . . 0.0 110.679 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.7 -25.27 71.62 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 121.588 -0.695 . . . . 0.0 113.31 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -79.02 -43.05 25.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.79 1.236 . . . . 0.0 111.437 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.05 -30.94 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.316 0.962 . . . . 0.0 112.111 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -60.92 -49.35 77.8 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.361 0.982 . . . . 0.0 111.52 169.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.59 -35.06 79.25 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.981 0.913 . . . . 0.0 112.69 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.3 m -68.37 -27.54 66.33 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.07 -1.019 . . . . 0.0 113.467 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.6 4.8 48.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.419 1.488 . . . . 0.0 112.881 170.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.4 8.63 80.71 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.489 1.518 . . . . 0.0 115.243 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.51 141.46 28.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.113 1.457 . . . . 0.0 111.346 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -133.54 64.56 68.89 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.207 1.403 . . . . 0.0 113.107 -172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -67.05 161.63 41.8 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.512 2.808 . . . . 0.0 111.3 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.7 p -69.21 165.78 19.74 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.776 0.431 . . . . 0.0 110.892 168.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.33 -36.8 73.94 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.86 -44.83 69.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.008 0.923 . . . . 0.0 112.452 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -65.45 -40.02 92.72 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.69 0.677 . . . . 0.0 111.49 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.03 -49.54 74.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.161 0.984 . . . . 0.0 110.907 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -42.31 91.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.926 0.891 . . . . 0.0 111.59 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.96 -35.51 80.14 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.293 -0.88 . . . . 0.0 113.226 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.04 -36.63 83.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.301 0.955 . . . . 0.0 111.379 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.3 mt -64.56 -49.6 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.796 0.839 . . . . 0.0 109.893 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -57.23 -29.93 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -75.28 -12.14 60.21 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.02 -24.65 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -126.81 54.71 1.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.684 1.594 . . . . 0.0 110.222 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.92 68.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.213 1.405 . . . . 0.0 113.603 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.46 -10.6 58.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.478 1.511 . . . . 0.0 113.675 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.55 40.79 26.5 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.586 1.088 . . . . 0.0 114.321 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -68.41 -25.33 64.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.293 1.047 . . . . 0.0 113.262 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.67 5.2 75.01 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 125.385 1.469 . . . . 0.0 114.19 -177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.0 p -141.24 151.54 43.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.074 1.75 . . . . 0.0 111.859 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.53 128.65 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.443 1.897 . . . . 0.0 108.462 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.87 158.67 18.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 0.0 110.531 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.91 -47.46 86.5 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -172.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.46 -26.8 23.91 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.828 2.046 . . . . 0.0 113.12 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.78 -43.69 71.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.676 1.125 . . . . 0.0 111.028 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -59.21 -38.17 79.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.972 0.909 . . . . 0.0 111.874 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.59 -26.24 61.62 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.064 -1.022 . . . . 0.0 113.473 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -64.21 -48.72 74.77 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.545 1.066 . . . . 0.0 110.608 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -65.88 -19.59 65.93 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.63 -41.31 21.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.327 1.051 . . . . 0.0 112.407 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.71 99.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.192 0.997 . . . . 0.0 112.344 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -53.1 -32.29 46.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.754 1.622 . . . . 0.0 113.706 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -72.09 -19.25 61.84 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.543 1.137 . . . . 0.0 113.48 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.4 mtt -116.07 -10.04 11.61 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -170.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.52 123.15 24.24 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.79 0.836 . . . . 0.0 112.258 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -158.85 26.42 0.22 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 112.973 -173.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 t -76.14 179.04 5.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.785 1.234 . . . . 0.0 113.853 -169.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -170.23 168.3 8.25 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.626 2.77 . . . . 0.0 110.714 -172.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.4 t -156.42 139.75 15.7 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.324 1.05 . . . . 0.0 112.018 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -65.71 -35.45 80.79 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.711 -0.618 . . . . 0.0 112.092 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.46 -27.68 68.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 112.239 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.97 -39.04 79.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.321 1.049 . . . . 0.0 111.377 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -77.62 -37.73 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.79 1.236 . . . . 0.0 110.367 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -61.75 -39.7 92.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -63.86 -34.36 77.76 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.005 0.821 . . . . 0.0 111.999 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.0 92.93 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.521 -0.737 . . . . 0.0 112.176 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -69.68 -36.4 75.97 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.546 -0.721 . . . . 0.0 112.709 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -63.14 -35.07 79.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.003 0.921 . . . . 0.0 111.889 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.7 -39.0 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.0 1.32 . . . . 0.0 111.797 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -80.91 -21.55 40.46 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -71.99 113.37 8.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.189 0.904 . . . . 0.0 110.13 168.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -83.68 -9.12 59.08 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.19 -25.05 5.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.765 1.226 . . . . 0.0 113.407 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.97 19.47 57.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.141 1.353 . . . . 0.0 113.221 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.15 -18.91 61.85 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.209 1.404 . . . . 0.0 113.811 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.06 13.91 56.96 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.658 1.599 . . . . 0.0 113.413 -174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -140.68 152.8 45.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.594 1.558 . . . . 0.0 112.613 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -124.18 164.82 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.748 1.619 . . . . 0.0 109.211 164.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -85.03 153.63 22.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.352 -1.467 . . . . 0.0 111.48 169.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.42 70.55 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.014 -1.054 . . . . 0.0 112.148 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.85 77.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.194 0.998 . . . . 0.0 112.398 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.73 -50.31 74.35 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.604 0.762 . . . . 0.0 110.183 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.35 -43.54 83.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.105 0.962 . . . . 0.0 111.85 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -29.1 69.78 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.581 1.153 . . . . 0.0 113.232 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -88.32 -51.96 5.46 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.112 -0.993 . . . . 0.0 112.771 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.68 -21.01 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.077 1.351 . . . . 0.0 113.572 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.5 mmt -90.3 -18.54 25.41 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.7 p -106.77 -20.6 13.29 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.592 1.087 . . . . 0.0 113.739 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.87 -9.53 24.12 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 mt -124.87 159.7 30.49 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.106 1.763 . . . . 0.0 112.307 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.51 -139.44 31.92 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.847 1.213 . . . . 0.0 113.741 167.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -89.68 71.39 7.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.296 1.438 . . . . 0.0 107.772 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -35.27 125.2 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.821 2.449 . . . . 0.0 114.862 -162.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.71 133.46 48.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.154 1.382 . . . . 0.0 110.673 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -76.14 157.97 32.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.982 1.313 . . . . 0.0 110.701 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.76 -44.63 63.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.87 1.268 . . . . 0.0 113.13 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 -27.01 63.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.064 0.946 . . . . 0.0 112.94 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -80.62 -46.96 14.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.342 1.057 . . . . 0.0 110.714 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.83 -33.84 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.443 1.02 . . . . 0.0 112.082 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.97 -41.69 97.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.237 0.615 . . . . 0.0 111.748 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.84 -40.16 63.5 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.344 0.658 . . . . 0.0 111.671 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.7 ttm -52.63 -47.32 67.13 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.074 0.95 . . . . 0.0 111.499 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.6 mt -80.01 -34.29 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.776 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -56.18 -37.46 69.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.923 1.238 . . . . 0.0 111.188 170.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.64 -8.42 59.71 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.16 -46.61 4.79 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.107 1.321 . . . . 0.0 113.11 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.56 -10.01 59.27 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.525 1.53 . . . . 0.0 114.031 -172.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.2 pt -68.5 -17.94 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.089 1.356 . . . . 0.0 113.544 168.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.29 -26.72 5.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.07 1.348 . . . . 0.0 113.2 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.0 -173.53 38.63 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.032 0.825 . . . . 0.0 113.113 170.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -160.0 62.86 0.35 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.945 1.298 . . . . 0.0 110.276 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.12 -41.69 2.26 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.19 1.376 . . . . 0.0 112.282 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -86.44 140.4 30.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.356 1.062 . . . . 0.0 109.029 160.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.32 121.03 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.178 1.791 . . . . 0.0 108.866 -176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -81.26 77.39 8.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.887 1.275 . . . . 0.0 110.446 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -53.5 -26.46 20.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.077 1.351 . . . . 0.0 114.603 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.54 -40.52 79.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.966 0.906 . . . . 0.0 112.045 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -73.55 -36.7 65.67 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.989 0.915 . . . . 0.0 111.189 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.21 -39.54 94.91 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.498 -0.751 . . . . 0.0 112.433 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.23 -40.2 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.531 0.605 . . . . 0.0 111.546 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.66 -46.16 86.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.509 0.595 . . . . 0.0 110.548 175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -64.84 -24.7 67.62 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mtm -72.92 -36.63 67.29 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.316 0.962 . . . . 0.0 113.26 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 t -106.98 -33.1 7.6 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -166.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.74 40.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.156 0.983 . . . . 0.0 111.899 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 56.3 mttp . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.603 1.561 . . . . 0.0 111.962 -171.604 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.05 159.89 43.75 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.883 3.055 . . . . 0.0 112.211 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -82.1 163.41 43.34 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.691 1.139 . . . . 0.0 113.701 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.1 p -59.34 -53.75 54.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.159 1.384 . . . . 0.0 111.56 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.66 -32.4 71.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.024 1.73 . . . . 0.0 112.502 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.38 -44.58 58.28 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.158 -0.964 . . . . 0.0 111.953 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -32.14 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.144 0.884 . . . . 0.0 111.193 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 73.3 m -61.31 -44.1 97.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.949 0.795 . . . . 0.0 111.749 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.85 84.12 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.559 -0.713 . . . . 0.0 111.011 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.2 mtm -60.81 -38.65 86.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.68 -46.82 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.273 0.942 . . . . 0.0 110.857 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.32 -38.48 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 0.0 111.618 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -59.21 -48.1 82.89 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.065 0.946 . . . . 0.0 110.96 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.82 -37.69 82.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.234 0.614 . . . . 0.0 112.565 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.06 84.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.857 0.863 . . . . 0.0 111.616 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.59 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.469 0.708 . . . . 0.0 111.899 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -66.77 -38.16 86.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.986 -1.071 . . . . 0.0 112.817 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -63.78 -36.37 83.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.346 0.976 . . . . 0.0 112.203 170.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 66.7 t60 -65.3 -44.37 88.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.663 0.785 . . . . 0.0 112.755 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.79 -35.65 73.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.122 -0.986 . . . . 0.0 112.905 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.11 -24.65 63.15 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -82.56 -22.33 34.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -96.37 -24.87 15.95 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.36 1.064 . . . . 0.0 113.655 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 96.2 p -89.04 -29.57 19.35 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.0 mm? 55.82 34.05 22.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -53.71 135.67 40.78 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.958 1.303 . . . . 0.0 112.837 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -59.63 -26.09 65.2 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -174.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -60.75 -17.95 51.8 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.914 1.286 . . . . 0.0 113.743 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 56.4 m -79.01 -11.49 60.01 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -128.4 -27.88 2.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.285 1.434 . . . . 0.0 113.643 -170.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.107 1.763 . . . . 0.0 113.084 178.471 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.49 -58.64 0.06 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.818 2.047 . . . . 0.0 108.862 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 75.85 166.55 0.27 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.944 2.498 . . . . 0.0 114.459 158.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.7 mt -74.16 156.0 37.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.265 -0.897 . . . . 0.0 113.099 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 p -103.55 163.01 12.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.197 1.799 . . . . 0.0 110.497 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.16 -35.0 74.35 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.06 -27.12 62.48 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.11 -42.71 31.12 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.697 0.681 . . . . 0.0 110.514 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.49 -43.26 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.091 0.957 . . . . 0.0 111.329 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.38 71.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.867 0.867 . . . . 0.0 113.252 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -76.42 -41.55 47.24 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.348 1.059 . . . . 0.0 111.258 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.53 -30.36 69.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.223 0.609 . . . . 0.0 112.5 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -59.19 -39.47 82.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.608 1.163 . . . . 0.0 112.514 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.26 -41.16 99.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.649 0.78 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.06 59.75 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.04 -39.4 94.61 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.145 0.978 . . . . 0.0 111.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -68.1 -17.22 64.31 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -30.14 56.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.626 1.103 . . . . 0.0 112.164 174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.69 -21.11 25.42 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 0.0 112.753 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -73.93 71.98 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 110.872 168.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -63.89 -25.92 68.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.844 1.658 . . . . 0.0 114.192 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.78 -15.97 31.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.754 1.622 . . . . 0.0 113.331 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 23.55 76.73 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.251 0.929 . . . . 0.0 113.386 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.95 -4.86 29.24 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.483 1.513 . . . . 0.0 113.701 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.82 13.38 56.73 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 124.9 1.238 . . . . 0.0 114.804 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 151.38 50.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.167 1.387 . . . . 0.0 112.974 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.65 166.19 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.746 1.618 . . . . 0.0 109.976 165.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 p -75.92 163.26 27.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.978 0.808 . . . . 0.0 112.313 168.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -60.83 -35.49 76.66 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.098 0.959 . . . . 0.0 111.724 167.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -61.25 -42.03 97.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.768 1.227 . . . . 0.0 112.963 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.86 -15.65 61.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.491 1.116 . . . . 0.0 113.439 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.31 -50.05 72.54 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.934 0.894 . . . . 0.0 110.572 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -17.94 68.43 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 118.843 -0.976 . . . . 0.0 113.872 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 m -86.03 -44.48 12.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.299 1.44 . . . . 0.0 110.954 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.13 -30.18 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 119.982 1.265 . . . . 0.0 112.741 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.9 mmt -57.97 -45.48 86.65 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.195 0.907 . . . . 0.0 111.187 167.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -74.71 -28.47 60.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.384 1.074 . . . . 0.0 113.215 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -31.19 72.02 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.007 0.923 . . . . 0.0 111.801 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.2 -1.36 57.37 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.798 1.639 . . . . 0.0 113.576 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.21 6.1 63.28 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 118.2 -1.334 . . . . 0.0 115.87 169.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -107.67 136.41 47.47 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.992 1.896 . . . . 0.0 111.239 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.92 85.91 12.59 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.182 1.393 . . . . 0.0 110.697 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.59 146.48 55.13 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.149 2.566 . . . . 0.0 110.493 174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -68.22 162.14 25.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.849 0.859 . . . . 0.0 110.575 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -54.4 -39.03 66.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.238 0.615 . . . . 0.0 112.271 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.62 -47.27 67.11 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.58 -31.86 70.28 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.603 0.638 . . . . 0.0 111.852 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.99 -48.52 65.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 111.191 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.11 -37.25 86.45 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.159 0.584 . . . . 0.0 111.375 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.39 -32.15 72.07 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.654 1.182 . . . . 0.0 113.16 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.5 mtm -77.9 -46.45 21.3 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.015 0.825 . . . . 0.0 111.654 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.03 -55.22 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.401 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -64.9 -20.42 66.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.153 0.888 . . . . 0.0 113.288 -171.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -76.46 -27.6 56.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.62 1.168 . . . . 0.0 113.167 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.91 -27.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.348 0.976 . . . . 0.0 113.3 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -90.2 26.21 1.96 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.308 1.443 . . . . 0.0 112.026 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.04 65.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.513 1.125 . . . . 0.0 113.768 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.09 -12.23 58.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.65 1.58 . . . . 0.0 113.635 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.35 14.01 77.41 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.282 1.42 . . . . 0.0 115.764 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -70.9 -22.94 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.56 9.24 83.6 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.204 1.383 . . . . 0.0 113.44 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 p -138.0 157.62 46.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.092 1.757 . . . . 0.0 111.915 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.3 mt -129.82 129.99 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.06 1.744 . . . . 0.0 108.179 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.78 156.21 17.16 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.45 1.1 . . . . 0.0 110.118 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.65 -47.31 79.02 Favored Pre-proline 0 CA--C 1.549 0.937 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -23.18 24.57 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.59 1.961 . . . . 0.0 113.2 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.09 -41.73 66.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.225 0.921 . . . . 0.0 110.76 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -62.82 -39.21 93.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 0.0 112.29 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -68.78 -31.41 70.4 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.971 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -63.38 -45.51 90.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.995 1.27 . . . . 0.0 111.617 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.3 -32.23 73.77 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.595 0.634 . . . . 0.0 112.411 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.6 mmm -71.74 -43.7 65.37 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.475 -0.766 . . . . 0.0 112.082 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.86 -41.92 83.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 112.584 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.68 -31.26 68.09 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.743 1.217 . . . . 0.0 113.223 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.08 -19.68 60.52 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.6 mmt -83.83 -7.56 59.42 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -59.98 149.27 32.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.725 1.148 . . . . 0.0 113.735 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.09 -4.0 28.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.675 1.19 . . . . 0.0 114.052 -171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -137.84 149.83 46.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.056 1.342 . . . . 0.0 111.908 -171.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.26 157.06 36.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.475 1.51 . . . . 0.0 111.156 164.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.2 m -77.78 140.42 39.44 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -163.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.52 -38.87 72.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.403 1.081 . . . . 0.0 113.489 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.24 -30.28 70.14 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -68.62 -41.33 79.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.118 0.567 . . . . 0.0 110.186 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.28 -45.4 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.822 1.249 . . . . 0.0 110.084 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -61.12 -47.14 87.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.233 1.013 . . . . 0.0 112.434 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.22 -28.27 66.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.73 99.35 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.954 0.797 . . . . 0.0 111.058 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.92 -39.96 91.01 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.062 -0.399 . . . . 0.0 111.867 171.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -68.82 -24.96 64.45 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 t -61.02 -32.29 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.118 0.872 . . . . 0.0 112.313 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -91.27 -19.74 22.65 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -61.94 142.32 57.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.253 1.421 . . . . 0.0 111.598 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -80.77 -17.35 51.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.455 1.102 . . . . 0.0 113.64 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -151.93 -10.2 0.2 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -172.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.89 22.76 48.34 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.14 1.352 . . . . 0.0 112.424 -166.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -16.83 61.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.113 1.365 . . . . 0.0 114.643 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.2 6.08 57.89 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.419 1.485 . . . . 0.0 114.97 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -134.45 146.33 49.7 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.37 165.15 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 127.379 2.271 . . . . 0.0 109.935 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -75.93 150.07 37.59 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.294 -1.503 . . . . 0.0 112.625 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.21 76.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.087 -1.008 . . . . 0.0 112.747 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.73 71.71 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.596 0.759 . . . . 0.0 111.167 173.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.02 -47.07 88.16 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.129 1.372 . . . . 0.0 111.477 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.49 -29.73 70.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.717 0.689 . . . . 0.0 112.746 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -68.48 -49.58 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.433 1.015 . . . . 0.0 110.488 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -65.99 -44.03 86.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.981 0.912 . . . . 0.0 112.876 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.66 -20.05 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.24 1.016 . . . . 0.0 112.6 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.7 mmt -92.98 -25.08 18.15 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.096 1.759 . . . . 0.0 114.237 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.6 p -102.24 -6.51 23.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.879 1.272 . . . . 0.0 113.348 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -111.87 -61.02 1.77 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.456 1.102 . . . . 0.0 112.412 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.22 146.96 29.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.719 1.208 . . . . 0.0 112.039 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.82 44.37 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.948 0.785 . . . . 0.0 112.449 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -74.37 169.12 18.31 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 122.534 -0.392 . . . . 0.0 110.759 163.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -127.05 119.94 27.8 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.59 -0.693 . . . . 0.0 111.559 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -81.78 172.21 13.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.895 0.878 . . . . 0.0 112.092 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.36 150.09 46.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.862 1.665 . . . . 0.0 113.146 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.92 -27.59 67.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 113.195 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.17 -35.19 59.27 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.679 -0.638 . . . . 0.0 111.855 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -45.86 43.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.156 0.982 . . . . 0.0 110.742 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.19 -30.42 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.903 1.229 . . . . 0.0 111.767 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.34 -44.52 83.07 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.021 -1.049 . . . . 0.0 111.931 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.98 -41.0 95.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.246 0.618 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.6 ttm -55.77 -41.88 74.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.272 1.029 . . . . 0.0 111.639 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.55 -43.75 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.584 0.754 . . . . 0.0 112.056 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.464 1.029 . . . . 0.0 113.186 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.58 -12.19 60.0 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.35 -35.98 7.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.9 1.28 . . . . 0.0 112.921 172.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.29 -15.56 62.65 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.826 2.051 . . . . 0.0 114.199 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.8 pp -63.48 -11.11 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.7 -26.41 60.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.562 1.145 . . . . 0.0 112.262 169.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.02 -11.09 56.17 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.765 1.65 . . . . 0.0 116.4 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -82.81 -20.14 36.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 118.978 1.389 . . . . 0.0 114.106 -173.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.02 -9.93 74.88 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.219 1.39 . . . . 0.0 114.351 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -99.06 143.39 29.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.13 1.372 . . . . 0.0 109.95 167.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.12 122.81 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 126.435 1.894 . . . . 0.0 108.249 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.16 94.68 4.12 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 162.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -73.2 -21.89 60.57 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.0 -41.57 98.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.286 0.634 . . . . 0.0 111.651 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.01 -26.58 39.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.663 0.785 . . . . 0.0 112.752 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.53 -27.32 68.88 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.833 -1.167 . . . . 0.0 113.12 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.7 -38.92 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.678 1.191 . . . . 0.0 112.081 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -66.3 -33.0 74.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.44 0.696 . . . . 0.0 111.644 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 mtt -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.697 0.799 . . . . 0.0 112.155 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.5 mtm -82.76 -26.1 32.19 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -78.41 -26.88 46.56 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.613 1.097 . . . . 0.0 111.609 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.37 -175.16 3.61 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.065 1.346 . . . . 0.0 113.297 172.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.255 1.355 0 C-N-CA 127.228 2.211 . . . . 0.0 110.639 176.034 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 CA-C-O 119.29 -0.728 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.34 155.54 40.35 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 124.335 3.357 . . . . 0.0 113.61 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -74.51 166.71 54.82 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 123.928 0.775 . . . . 0.0 114.079 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 42.1 m -64.25 -40.08 95.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.13 0.972 . . . . 0.0 110.789 -177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 48.0 mp0 -59.54 -43.36 93.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.012 2.125 . . . . 0.0 111.46 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.71 -44.51 73.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.171 0.588 . . . . 0.0 111.72 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.7 m -73.08 -28.55 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.718 0.69 . . . . 0.0 112.176 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -66.17 -44.27 84.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.461 1.028 . . . . 0.0 111.332 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.63 -27.16 66.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.533 1.133 . . . . 0.0 112.958 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 59.8 mtt -66.61 -42.27 87.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.595 0.758 . . . . 0.0 112.577 172.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 88.5 t -67.26 -37.67 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.095 0.862 . . . . 0.0 111.376 -169.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.11 -48.68 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.161 0.584 . . . . 0.0 110.857 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -74.96 -24.33 58.44 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -67.75 -44.12 78.28 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.601 1.091 . . . . 0.0 111.248 169.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.08 95.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.468 0.707 . . . . 0.0 111.954 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.7 -45.96 84.37 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -67.88 -36.64 80.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.251 0.932 . . . . 0.0 112.183 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.59 -34.16 77.58 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.809 1.243 . . . . 0.0 111.871 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.14 -47.15 65.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.565 1.146 . . . . 0.0 112.446 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.01 -32.78 72.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.425 1.49 . . . . 0.0 112.292 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.73 -28.35 65.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.032 0.933 . . . . 0.0 112.354 171.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -80.79 -18.1 48.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.368 0.985 . . . . 0.0 112.696 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.24 -37.54 25.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.137 0.975 . . . . 0.0 111.52 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.9 m -84.47 -29.48 26.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 67.76 -53.26 0.51 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 130.163 3.385 . . . . 0.0 112.948 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.0 147.86 48.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.364 1.066 . . . . 0.0 111.984 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.88 152.39 27.51 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.796 1.238 . . . . 0.0 113.546 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -139.29 169.35 17.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.208 1.403 . . . . 0.0 111.589 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 22.6 t -153.77 149.91 27.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.741 1.217 . . . . 0.0 111.588 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -115.47 -10.05 12.0 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.44 1.496 . . . . 0.0 113.81 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.255 1.363 0 C-N-CA 126.536 1.934 . . . . 0.0 110.452 -177.486 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -160.69 -46.83 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.008 1.323 . . . . 0.0 113.646 -177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 72.35 178.15 0.25 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.241 2.616 . . . . 0.0 113.102 178.223 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.34 150.6 48.62 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -164.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p -112.25 162.09 15.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.424 1.889 . . . . 0.0 111.35 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.52 -32.78 73.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.523 0.729 . . . . 0.0 112.65 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.93 -25.8 60.17 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.21 -45.41 56.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.173 0.897 . . . . 0.0 110.702 167.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -56.94 -38.45 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.402 0.681 . . . . 0.0 111.554 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -28.61 69.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.83 -39.91 15.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.2 1.0 . . . . 0.0 111.724 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -65.85 -29.11 69.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.491 0.716 . . . . 0.0 111.924 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.17 -43.58 95.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -65.9 -37.93 87.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.745 0.818 . . . . 0.0 112.025 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.26 67.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.383 0.673 . . . . 0.0 112.491 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.23 -40.98 98.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.329 1.051 . . . . 0.0 112.25 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 m -67.93 -15.68 63.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -30.07 63.7 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.045 1.293 . . . . 0.0 111.359 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -86.85 -21.75 26.2 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.295 1.438 . . . . 0.0 112.634 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -75.62 85.03 2.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.732 1.213 . . . . 0.0 110.749 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.78 -27.29 62.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.46 -15.91 29.95 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.66 1.184 . . . . 0.0 113.544 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.4 74.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.982 1.277 . . . . 0.0 113.862 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.73 -6.96 53.75 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.316 1.446 . . . . 0.0 114.002 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.06 53.04 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.324 1.44 . . . . 0.0 115.044 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.3 p -129.77 154.05 47.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.38 1.472 . . . . 0.0 112.467 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -117.83 160.25 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.375 1.47 . . . . 0.0 110.527 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 m -75.4 151.39 38.16 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.643 -0.661 . . . . 0.0 109.293 169.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 p -58.73 -30.87 67.81 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.579 1.152 . . . . 0.0 112.526 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.24 -27.27 68.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.176 1.79 . . . . 0.0 113.465 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.72 -7.97 55.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.919 1.288 . . . . 0.0 112.516 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.22 -49.3 78.38 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.058 0.943 . . . . 0.0 111.341 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.09 -25.44 68.1 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 121.666 -0.646 . . . . 0.0 113.341 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -76.72 -49.31 16.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.684 1.194 . . . . 0.0 110.919 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.14 -31.43 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.921 0.782 . . . . 0.0 112.382 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 mmt -56.37 -52.23 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.73 0.812 . . . . 0.0 111.316 166.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -62.19 -40.83 97.37 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.131 1.373 . . . . 0.0 112.548 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -66.58 -26.41 67.09 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.116 -0.99 . . . . 0.0 113.526 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.05 11.59 22.54 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.437 1.495 . . . . 0.0 113.173 171.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.79 12.36 78.36 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 124.38 0.99 . . . . 0.0 114.795 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -77.62 146.61 36.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.083 0.942 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -124.51 55.29 9.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.35 147.71 42.17 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.201 2.601 . . . . 0.0 111.224 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -73.39 162.26 29.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.465 1.106 . . . . 0.0 110.334 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -53.82 -40.49 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.19 1.396 . . . . 0.0 112.738 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.42 80.14 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.924 0.89 . . . . 0.0 112.621 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.38 -45.07 66.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.528 0.731 . . . . 0.0 111.116 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.18 -48.06 79.69 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.288 0.635 . . . . 0.0 111.286 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.68 -47.59 84.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.754 0.422 . . . . 0.0 111.504 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.68 -31.32 71.21 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.486 -0.759 . . . . 0.0 112.922 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.1 mtm -69.71 -31.15 69.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.804 -0.56 . . . . 0.0 111.377 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.09 -48.63 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 118.939 0.79 . . . . 0.0 109.394 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -57.29 -27.6 62.29 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -70.58 -28.73 65.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.335 1.054 . . . . 0.0 112.827 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.85 -28.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.4 17.78 5.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.137 1.375 . . . . 0.0 112.576 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -23.09 63.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 113.433 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.34 -11.14 59.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.01 1.324 . . . . 0.0 113.73 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.38 18.74 70.59 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.12 1.343 . . . . 0.0 115.135 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.03 -30.4 67.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.33 4.94 90.35 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.186 1.374 . . . . 0.0 113.71 -171.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -140.07 161.25 38.07 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.688 1.995 . . . . 0.0 110.957 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.9 mt -121.64 131.96 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 125.886 1.675 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -94.73 151.97 18.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.305 1.442 . . . . 0.0 110.518 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.95 -51.54 66.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.834 -1.555 . . . . 0.0 114.939 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.51 -23.18 50.53 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.342 2.028 . . . . 0.0 113.57 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.85 -41.13 62.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.582 1.083 . . . . 0.0 110.755 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.6 -39.38 91.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 111.99 169.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.55 -32.04 71.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.231 -0.918 . . . . 0.0 112.363 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -63.62 -46.86 83.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.099 0.96 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 ptp -65.45 -39.77 92.43 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.902 0.773 . . . . 0.0 111.971 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.3 mmm -62.72 -33.59 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.041 0.936 . . . . 0.0 112.437 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.47 -54.45 9.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.328 1.051 . . . . 0.0 112.537 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.99 -37.4 79.55 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.692 1.197 . . . . 0.0 113.907 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.12 -15.67 63.86 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtt -81.17 -5.57 57.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.543 1.137 . . . . 0.0 113.278 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -136.68 23.31 3.13 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.239 1.416 . . . . 0.0 114.671 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.96 67.12 5.66 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.194 2.198 . . . . 0.0 111.429 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -133.79 178.43 6.95 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.277 1.431 . . . . 0.0 113.239 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.05 176.49 12.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.79 2.436 . . . . 0.0 111.408 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 p -147.52 159.29 43.91 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.47 -32.3 68.62 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.311 1.444 . . . . 0.0 111.538 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.93 -38.26 66.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.902 0.881 . . . . 0.0 111.806 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.0 -38.74 91.97 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.079 0.854 . . . . 0.0 110.513 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.67 -40.48 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 110.898 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -64.38 -42.54 96.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.762 0.825 . . . . 0.0 112.634 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.89 -35.2 76.03 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.507 -0.746 . . . . 0.0 112.424 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.01 79.93 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.453 -0.78 . . . . 0.0 112.734 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -70.93 -39.0 72.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.125 0.875 . . . . 0.0 112.645 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.03 -27.28 69.0 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.89 -35.72 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.174 0.99 . . . . 0.0 112.428 169.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -88.59 -21.0 24.26 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.91 139.06 58.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.47 1.108 . . . . 0.0 110.948 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -78.57 -12.5 60.02 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -146.15 -14.93 0.46 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.325 1.45 . . . . 0.0 114.33 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.49 25.67 32.42 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.994 1.283 . . . . 0.0 112.237 -167.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -76.19 -25.5 55.25 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.181 1.392 . . . . 0.0 114.149 -171.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.57 13.61 29.76 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 125.554 1.55 . . . . 0.0 113.512 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -142.51 139.46 31.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 114.461 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.38 156.41 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.078 1.751 . . . . 0.0 110.66 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -74.66 136.19 41.91 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.669 -1.269 . . . . 0.0 111.827 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.144 -0.972 . . . . 0.0 113.212 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.95 81.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.853 0.861 . . . . 0.0 112.811 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.5 -42.54 74.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.71 0.804 . . . . 0.0 110.764 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.44 -37.42 78.09 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.642 0.777 . . . . 0.0 111.556 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -65.27 -42.52 93.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.659 -0.651 . . . . 0.0 112.107 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -71.3 -48.59 49.76 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.799 0.84 . . . . 0.0 113.081 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.94 -21.22 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.291 1.036 . . . . 0.0 112.518 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -93.96 -17.46 22.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.3 p -101.32 -32.96 10.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.477 1.035 . . . . 0.0 112.224 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.91 -55.63 3.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.066 0.946 . . . . 0.0 111.97 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.18 154.0 20.5 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.188 1.395 . . . . 0.0 112.008 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 -134.62 14.91 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 111.569 -172.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.37 -171.53 3.5 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.471 0.708 . . . . 0.0 109.65 164.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -84.68 165.43 17.9 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.298 -1.501 . . . . 0.0 111.357 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.31 136.47 21.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.584 1.554 . . . . 0.0 108.496 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -74.47 158.58 33.58 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.399 1.08 . . . . 0.0 111.926 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.8 -44.92 82.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.755 1.222 . . . . 0.0 112.201 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.58 -21.36 62.69 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.303 1.041 . . . . 0.0 112.973 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.61 -57.58 3.39 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.978 0.911 . . . . 0.0 109.117 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.29 -32.32 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -171.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.63 -37.24 82.19 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.054 0.843 . . . . 0.0 111.614 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.65 -27.83 60.59 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.731 0.813 . . . . 0.0 111.881 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 52.2 ttm -57.26 -43.85 83.39 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.135 0.879 . . . . 0.0 111.249 170.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.97 -44.02 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.595 -0.691 . . . . 0.0 110.534 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.56 -27.58 68.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.139 0.976 . . . . 0.0 113.243 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -90.15 -37.01 14.49 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.028 1.331 . . . . 0.0 112.639 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.91 -41.34 19.01 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -95.23 -19.64 19.86 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.604 1.561 . . . . 0.0 112.854 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.264 5.9 mt 64.75 48.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.097 1.759 . . . . 0.0 110.547 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 79.7 135.01 0.06 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.911 3.284 . . . . 0.0 113.371 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.73 -154.12 17.19 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.381 1.467 . . . . 0.0 113.578 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -151.41 143.22 23.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.976 1.711 . . . . 0.0 110.824 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.28 -145.1 12.4 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.216 0.912 . . . . 0.0 112.765 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -86.95 123.39 32.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.695 0.798 . . . . 0.0 110.168 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.34 125.38 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 127.252 2.221 . . . . 0.0 109.588 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.05 96.13 6.38 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.188 0.518 . . . . 0.0 109.793 166.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -72.52 -25.82 61.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.9 -42.01 86.18 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.61 -0.681 . . . . 0.0 111.648 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.82 -37.53 76.27 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.533 0.733 . . . . 0.0 111.785 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.6 -40.08 93.51 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.088 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.67 -43.92 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.49 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -67.52 -31.19 71.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.206 0.912 . . . . 0.0 112.799 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 77.1 mtm -73.64 -36.9 65.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.233 0.613 . . . . 0.0 112.085 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.6 ttp -72.81 -37.3 67.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.935 1.294 . . . . 0.0 113.093 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p -86.13 -4.44 59.17 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.629 1.171 . . . . 0.0 113.475 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.63 141.75 56.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.321 1.048 . . . . 0.0 112.503 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.301 0 CA-C-O 115.9 -2.0 . . . . 0.0 113.502 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.5 162.47 38.03 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.541 3.494 . . . . 0.0 111.556 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -75.05 152.68 44.15 Favored Glycine 0 N--CA 1.469 0.892 0 C-N-CA 123.831 0.729 . . . . 0.0 112.779 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 50.6 m -65.0 -40.8 95.46 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.865 0.866 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 42.6 mp0 -58.45 -44.02 89.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.387 1.875 . . . . 0.0 111.237 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.15 -48.25 71.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 110.999 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.9 m -71.95 -26.91 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.322 -0.861 . . . . 0.0 113.083 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -67.26 -45.57 76.29 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.09 -1.006 . . . . 0.0 111.24 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.02 64.82 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.571 0.748 . . . . 0.0 112.683 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 58.2 mtt -59.19 -30.6 68.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.051 0.94 . . . . 0.0 113.32 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.4 t -71.2 -42.17 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.099 0.863 . . . . 0.0 110.288 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.09 -43.85 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.34 0.656 . . . . 0.0 110.117 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.41 -42.93 96.98 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.369 0.668 . . . . 0.0 111.579 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -60.94 -49.88 75.67 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.772 0.829 . . . . 0.0 111.326 175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.86 97.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.489 0.716 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.46 -41.17 76.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.205 0.602 . . . . 0.0 112.552 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -63.79 -41.05 98.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.311 0.96 . . . . 0.0 111.988 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -64.32 -35.36 80.6 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.111 0.964 . . . . 0.0 112.687 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.83 -50.84 61.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.913 0.885 . . . . 0.0 112.242 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.5 -27.99 68.98 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.137 -0.977 . . . . 0.0 113.432 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.98 -26.83 67.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.686 0.795 . . . . 0.0 112.675 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -83.07 -34.81 26.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.611 0.764 . . . . 0.0 111.199 173.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -73.89 -44.59 54.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.643 1.177 . . . . 0.0 112.592 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 49.7 m -111.78 -14.71 13.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -168.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 68.55 -49.01 0.56 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.688 3.195 . . . . 0.0 114.075 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -109.82 -64.22 1.28 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.812 1.645 . . . . 0.0 110.708 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 30.9 p80 -177.43 171.2 1.99 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 128.02 2.528 . . . . 0.0 110.492 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -70.23 153.33 43.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.853 0.861 . . . . 0.0 112.225 172.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 50.5 m -79.59 152.96 29.77 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.251 1.02 . . . . 0.0 112.706 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 55.0 p90 -160.6 -42.22 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.308 1.443 . . . . 0.0 112.687 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1927 ' ' LEU . . . . . 0.408 HD23 ' H ' ' B' 1927 ' ' LEU . 1.8 pt? . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.454 1.902 . . . . 0.0 113.89 176.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.685 0.278 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -100.1 3.06 43.72 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.005 1.322 . . . . 0.0 112.546 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -160.43 153.74 21.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.454 1.902 . . . . 0.0 109.345 -168.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -60.47 141.35 56.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.704 -0.622 . . . . 0.0 112.501 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.3 p -96.51 161.54 13.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.899 1.28 . . . . 0.0 111.372 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.87 -31.67 71.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.63 -22.01 61.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.804 0.842 . . . . 0.0 113.24 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -82.12 -43.26 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.037 0.835 . . . . 0.0 110.343 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.19 -36.43 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.273 1.029 . . . . 0.0 110.99 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.27 66.55 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.33 -41.77 10.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.627 1.171 . . . . 0.0 111.569 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.41 -33.33 73.51 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.536 -0.728 . . . . 0.0 112.106 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -58.54 -39.97 81.67 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.114 0.966 . . . . 0.0 112.498 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.61 -40.22 80.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.56 0.618 . . . . 0.0 111.682 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.81 77.35 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.553 -0.717 . . . . 0.0 112.59 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.5 -40.16 73.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.941 0.896 . . . . 0.0 111.792 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 -18.39 64.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.39 -25.52 59.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.716 1.143 . . . . 0.0 112.715 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -89.81 -20.85 23.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 112.94 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -76.09 84.79 2.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.719 1.208 . . . . 0.0 110.948 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -71.83 -27.56 62.99 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -174.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -89.11 -17.64 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.646 1.179 . . . . 0.0 113.155 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.31 73.04 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.607 1.098 . . . . 0.0 113.849 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -94.13 -5.53 46.98 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.482 1.513 . . . . 0.0 113.992 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 16.42 53.44 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.838 1.209 . . . . 0.0 114.586 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.6 p -125.63 152.07 45.66 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.327 1.451 . . . . 0.0 112.501 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.66 164.55 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.796 1.638 . . . . 0.0 109.776 166.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.7 p -76.38 164.36 26.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.356 0.98 . . . . 0.0 112.494 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -62.71 -26.01 68.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.143 168.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.78 -44.35 50.01 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.472 1.109 . . . . 0.0 111.505 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -66.08 -20.97 66.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.76 1.224 . . . . 0.0 113.506 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.64 -52.1 63.34 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.572 -0.705 . . . . 0.0 111.447 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.36 -19.22 59.57 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.378 -0.679 . . . . 0.0 113.494 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 m -85.06 -43.37 13.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.347 1.459 . . . . 0.0 111.399 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.33 -27.99 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.203 1.365 . . . . 0.0 111.974 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 mmt -54.06 -51.05 65.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.769 0.828 . . . . 0.0 110.81 166.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.15 -28.65 61.42 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.282 1.033 . . . . 0.0 113.338 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -60.98 -32.25 71.81 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.188 -0.945 . . . . 0.0 112.039 167.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.66 11.07 30.23 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.59 1.956 . . . . 0.0 113.276 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.15 87.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.82 1.2 . . . . 0.0 115.156 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -90.03 132.58 35.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.923 1.289 . . . . 0.0 109.432 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -120.48 64.68 11.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.022 0.929 . . . . 0.0 112.681 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.42 142.13 32.75 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.319 2.679 . . . . 0.0 111.225 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 m -70.67 159.66 34.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.013 0.925 . . . . 0.0 109.961 175.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.13 -35.56 69.64 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.929 0.892 . . . . 0.0 112.745 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.41 74.33 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.851 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -74.34 -40.92 61.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.779 0.832 . . . . 0.0 110.731 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -58.67 -48.68 80.24 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.086 0.954 . . . . 0.0 110.474 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -58.81 -42.52 89.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.083 0.856 . . . . 0.0 111.948 176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.62 -35.36 79.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.049 0.94 . . . . 0.0 113.519 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 ptp -83.67 -35.96 24.14 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.075 0.852 . . . . 0.0 112.962 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.96 -54.82 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.583 1.153 . . . . 0.0 110.89 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -63.74 -21.41 66.39 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.752 1.16 . . . . 0.0 113.314 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.45 -22.14 51.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 113.364 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.02 -28.37 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.761 1.164 . . . . 0.0 113.362 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.8 25.04 2.89 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.984 1.714 . . . . 0.0 112.714 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.49 -20.25 62.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.897 1.279 . . . . 0.0 113.676 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.08 -15.34 59.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.32 1.448 . . . . 0.0 113.385 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.91 18.18 79.06 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.782 1.182 . . . . 0.0 113.758 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -73.34 -30.22 63.19 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.854 1.662 . . . . 0.0 113.404 -170.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.31 5.18 82.93 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.765 1.65 . . . . 0.0 114.342 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -136.1 156.4 48.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.779 1.632 . . . . 0.0 112.744 -171.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.78 131.39 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.066 2.146 . . . . 0.0 108.888 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.73 156.68 19.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 112.026 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.24 -51.4 81.13 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.71 -26.87 45.29 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.723 2.282 . . . . 0.0 113.298 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.91 -39.57 69.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.599 1.16 . . . . 0.0 111.472 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -62.58 -42.69 99.72 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 111.997 168.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.4 -32.18 73.68 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.1 m -64.01 -47.8 78.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.18 0.992 . . . . 0.0 110.971 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.4 ptp -67.18 -31.61 72.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.509 0.595 . . . . 0.0 112.47 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.81 -41.97 74.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.991 . . . . 0.0 112.116 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -51.34 69.74 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.346 1.058 . . . . 0.0 112.329 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.0 -21.87 66.69 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.266 1.426 . . . . 0.0 113.282 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -88.6 -15.94 33.78 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmt -58.03 138.95 55.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.743 1.217 . . . . 0.0 113.47 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -91.76 161.25 14.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.121 1.369 . . . . 0.0 113.546 -168.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -81.11 -36.25 30.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.204 1.402 . . . . 0.0 112.136 168.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.279 13.6 t 47.62 -145.67 0.28 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.016 2.526 . . . . 0.0 113.639 168.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -154.67 149.01 26.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.638 1.975 . . . . 0.0 112.184 173.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.2 t -169.57 149.01 3.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 110.48 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.42 -30.39 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.22 -42.28 69.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.82 0.848 . . . . 0.0 111.993 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -68.53 -40.7 80.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.003 0.921 . . . . 0.0 110.442 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.45 -42.5 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.959 1.304 . . . . 0.0 110.68 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -61.93 -45.31 94.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.498 0.719 . . . . 0.0 112.432 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -63.34 -32.64 74.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.26 96.87 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.469 1.031 . . . . 0.0 111.579 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -68.46 -39.11 81.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.732 -0.605 . . . . 0.0 112.383 169.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -64.53 -32.01 73.47 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.684 0.794 . . . . 0.0 112.686 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.52 -37.11 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.675 1.19 . . . . 0.0 111.908 170.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.69 -23.83 31.54 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -68.6 117.32 10.18 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.923 0.868 . . . . 0.0 110.242 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -81.69 -8.86 59.75 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 113.921 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.5 -20.76 5.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.35 1.46 . . . . 0.0 113.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.4 19.25 69.37 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.853 1.216 . . . . 0.0 113.123 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.85 -19.73 61.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.826 1.65 . . . . 0.0 114.472 -174.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.56 11.1 52.19 Favored Glycine 0 N--CA 1.476 1.33 0 C-N-CA 125.49 1.519 . . . . 0.0 113.922 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.44 142.94 39.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.052 1.341 . . . . 0.0 113.075 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.55 159.67 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.773 1.629 . . . . 0.0 110.623 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -80.41 139.95 36.25 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.015 -1.053 . . . . 0.0 111.746 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.9 98.63 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.856 -1.152 . . . . 0.0 112.918 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.13 71.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 0.0 113.096 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.98 -44.57 30.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.399 1.48 . . . . 0.0 111.203 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.79 -39.45 94.28 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.056 0.844 . . . . 0.0 111.991 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -55.23 -54.34 44.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.862 0.865 . . . . 0.0 111.091 166.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -66.63 -42.41 86.81 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.2 -23.2 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.519 -1.363 . . . . 0.0 112.53 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.51 -20.61 50.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.84 1.256 . . . . 0.0 114.359 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 77.4 p -108.83 -12.66 14.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.9 1.28 . . . . 0.0 113.636 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -103.99 -42.67 5.5 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.16 152.76 18.5 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.491 1.116 . . . . 0.0 112.333 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.9 -152.74 50.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.309 1.433 . . . . 0.0 114.154 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.86 140.06 55.19 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 160.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -91.83 140.34 29.78 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 tp -87.8 155.32 19.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.564 1.546 . . . . 0.0 110.609 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -83.78 162.52 20.6 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.94 -39.64 78.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.266 1.426 . . . . 0.0 111.98 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.89 -42.7 94.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.0 1.72 . . . . 0.0 110.915 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.68 -43.64 65.65 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.123 0.969 . . . . 0.0 112.135 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.74 -32.36 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.343 1.428 . . . . 0.0 111.983 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.45 -39.47 92.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.07 0.85 . . . . 0.0 112.054 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -64.21 -48.11 77.11 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.486 0.585 . . . . 0.0 111.279 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttm -56.65 -50.79 71.03 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.413 1.085 . . . . 0.0 112.114 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.13 -40.42 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.399 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -65.17 -37.23 86.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.21 -20.57 60.84 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.85 -43.7 12.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.928 0.891 . . . . 0.0 112.614 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.29 -22.42 66.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.493 1.517 . . . . 0.0 114.121 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.5 pt -69.75 -17.56 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -109.67 -32.49 7.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.239 1.416 . . . . 0.0 112.127 172.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -80.77 -161.26 25.35 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.48 1.514 . . . . 0.0 114.004 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -160.72 67.75 0.33 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.214 1.406 . . . . 0.0 110.447 -175.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.34 -43.55 2.31 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 125.062 1.315 . . . . 0.0 112.588 -170.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -89.04 146.39 24.88 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.663 1.185 . . . . 0.0 110.542 165.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.0 t -88.36 124.24 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.978 1.711 . . . . 0.0 109.507 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.44 73.53 7.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.992 1.317 . . . . 0.0 110.383 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -63.07 -23.96 67.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.59 -39.25 79.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.688 0.795 . . . . 0.0 112.343 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -80.12 -34.97 37.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.232 1.013 . . . . 0.0 111.698 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -62.21 -28.58 69.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.982 1.313 . . . . 0.0 113.241 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.06 -39.56 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.544 1.138 . . . . 0.0 112.522 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.42 -25.92 65.27 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.143 0.883 . . . . 0.0 111.887 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.1 mtt -70.46 -19.88 62.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.31 1.044 . . . . 0.0 112.73 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 18.0 mmt -78.12 -42.05 33.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.043 1.337 . . . . 0.0 112.282 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.4 p -84.87 -36.33 21.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.955 1.302 . . . . 0.0 111.587 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 64.41 -157.44 0.3 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 126.456 1.902 . . . . 0.0 113.747 164.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.979 1.712 . . . . 0.0 112.981 -177.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -73.67 149.13 42.92 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 124.372 3.381 . . . . 0.0 111.879 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -99.14 19.27 54.8 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.87 1.7 . . . . 0.0 114.009 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.9 m -63.66 -41.08 98.25 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.623 1.212 . . . . 0.0 111.181 -169.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.55 -42.68 99.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 112.005 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.89 -45.25 78.61 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.516 -0.74 . . . . 0.0 111.663 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.0 m -71.08 -31.43 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 69.8 m -63.17 -43.7 97.53 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.345 -0.847 . . . . 0.0 111.495 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.77 68.84 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.386 -0.821 . . . . 0.0 112.669 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.0 mtm -79.34 -16.72 55.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 55.7 t -81.61 -43.72 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.758 1.163 . . . . 0.0 110.939 172.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.49 -35.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.542 0.61 . . . . 0.0 111.767 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.4 -34.7 76.5 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -65.95 -39.97 90.91 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.512 1.051 . . . . 0.0 111.186 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.92 96.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.242 1.417 . . . . 0.0 111.422 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -72.46 -35.77 68.32 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.475 -0.766 . . . . 0.0 112.763 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.54 -21.22 61.93 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.217 -0.927 . . . . 0.0 112.402 172.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -73.84 -39.69 63.83 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.368 1.067 . . . . 0.0 111.755 164.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 71.3 t60 -58.4 -51.47 69.68 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.224 0.92 . . . . 0.0 112.748 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.11 -21.82 59.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.983 1.313 . . . . 0.0 114.43 -172.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 96.9 mt -87.87 -62.25 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.215 1.006 . . . . 0.0 110.519 170.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -69.99 -11.24 60.73 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -168.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -55.01 -28.05 49.01 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 172.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 75.0 p -169.69 -24.38 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 68.89 -43.09 0.5 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 129.719 3.208 . . . . 0.0 113.579 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 84.4 tttt -72.0 145.92 48.03 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.401 1.48 . . . . 0.0 112.386 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 35.1 p80 -68.53 -27.6 66.24 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -85.88 123.83 31.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.479 1.112 . . . . 0.0 111.489 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 43.0 p -91.56 -19.3 22.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.054 1.341 . . . . 0.0 113.838 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 53.8 p90 -93.35 -13.99 27.43 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.421 1.488 . . . . 0.0 114.039 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.5 1.52 . . . . 0.0 112.389 178.852 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -108.34 9.04 27.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.324 1.85 . . . . 0.0 112.648 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.46 167.21 31.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.779 1.231 . . . . 0.0 112.712 -158.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.5 mt -57.13 147.24 25.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -93.25 160.06 15.0 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.879 1.672 . . . . 0.0 111.515 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.612 0.765 . . . . 0.0 112.987 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.9 -24.67 61.68 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -81.17 -44.27 18.1 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.83 0.852 . . . . 0.0 110.31 170.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.73 -37.39 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.914 1.286 . . . . 0.0 111.952 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.77 67.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.441 1.096 . . . . 0.0 113.723 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.98 -39.85 12.71 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.81 0.844 . . . . 0.0 111.691 173.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.33 -30.53 71.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.405 0.682 . . . . 0.0 112.76 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.16 -44.3 71.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.592 1.157 . . . . 0.0 112.555 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -38.3 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.278 0.631 . . . . 0.0 111.935 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.67 -47.65 45.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.151 0.432 . . . . 0.0 111.817 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -58.54 -42.04 86.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.808 0.843 . . . . 0.0 112.354 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 m -66.32 -18.55 65.42 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -29.66 38.71 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.084 1.311 . . . . 0.0 111.808 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 35' ' ' VAL . 77.2 m-85 -88.06 -11.77 46.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.946 1.299 . . . . 0.0 113.005 175.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.81 63.3 2.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.035 1.734 . . . . 0.0 110.568 166.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -67.82 -25.66 65.68 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.903 1.281 . . . . 0.0 113.835 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.16 -16.81 36.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.79 1.236 . . . . 0.0 113.303 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.82 13.76 80.81 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.674 1.13 . . . . 0.0 114.403 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.15 -18.6 42.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 113.736 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.3 20.44 25.26 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.904 1.24 . . . . 0.0 113.921 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -133.26 151.85 51.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.407 1.483 . . . . 0.0 111.144 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.28 161.69 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.152 0.981 . . . . 0.0 110.462 166.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -79.25 153.53 29.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.551 0.741 . . . . 0.0 111.339 166.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -60.75 -35.59 76.78 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.475 1.11 . . . . 0.0 111.871 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.32 -35.76 80.09 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 113.078 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -85.83 -8.09 58.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.312 1.045 . . . . 0.0 113.137 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.23 -47.7 68.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.519 1.054 . . . . 0.0 110.998 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.8 -13.59 59.41 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.722 1.153 . . . . 0.0 114.414 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.6 m -92.7 -41.04 10.38 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.88 1.672 . . . . 0.0 110.596 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.6 t -60.91 -40.45 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 119.536 1.062 . . . . 0.0 110.377 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -53.54 -53.17 55.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 110.903 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.89 -26.3 63.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.063 0.945 . . . . 0.0 113.19 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.9 m -70.01 -19.4 63.32 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.244 -0.91 . . . . 0.0 112.997 170.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.93 -2.19 26.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.653 1.981 . . . . 0.0 113.324 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 5.89 66.74 Favored Glycine 0 N--CA 1.475 1.292 0 C-N-CA 125.295 1.426 . . . . 0.0 115.138 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -85.0 128.33 34.58 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.134 1.467 . . . . 0.0 109.446 172.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -119.65 73.16 16.37 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.057 0.943 . . . . 0.0 111.137 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.91 131.32 16.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.464 2.776 . . . . 0.0 111.443 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.77 156.56 13.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.537 1.135 . . . . 0.0 109.296 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.29 -34.11 63.84 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.87 74.42 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.263 1.025 . . . . 0.0 112.951 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.57 -37.17 82.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.137 1.375 . . . . 0.0 111.372 175.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.43 -48.77 71.62 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.251 1.02 . . . . 0.0 110.488 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -63.69 -36.76 84.9 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.477 0.581 . . . . 0.0 111.491 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.51 -34.58 75.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.975 0.91 . . . . 0.0 112.695 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.1 mtm -75.6 -42.41 51.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 111.373 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -56.63 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.529 0.604 . . . . 0.0 110.575 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -65.82 -17.52 64.69 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.72 -27.2 64.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.438 1.095 . . . . 0.0 113.446 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -112.44 -24.66 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.184 0.994 . . . . 0.0 113.354 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.91 23.72 3.55 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.312 1.845 . . . . 0.0 112.675 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.1 -24.05 66.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.75 1.22 . . . . 0.0 113.306 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.01 -15.76 56.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.588 1.555 . . . . 0.0 113.25 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.9 17.57 79.7 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.199 1.381 . . . . 0.0 113.375 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.36 -26.38 63.71 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.747 1.219 . . . . 0.0 113.89 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.76 0.51 87.68 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.483 1.516 . . . . 0.0 114.982 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.0 p -137.55 160.8 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.828 1.651 . . . . 0.0 112.299 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -132.2 132.66 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.738 2.015 . . . . 0.0 108.762 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.98 157.25 16.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.87 1.268 . . . . 0.0 110.854 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 28.3 t80 -56.95 -43.85 99.56 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.764 -172.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.2 -35.52 85.09 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.752 2.301 . . . . 0.0 113.421 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -70.96 -43.85 67.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.618 0.767 . . . . 0.0 110.926 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.08 -45.48 90.73 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.52 1.128 . . . . 0.0 112.365 172.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.42 -35.78 81.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.651 -0.656 . . . . 0.0 112.108 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -63.77 -44.04 94.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.844 0.747 . . . . 0.0 110.676 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.1 -48.33 80.5 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.561 0.618 . . . . 0.0 111.93 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.2 -40.11 96.56 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.796 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.21 94.01 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.836 1.254 . . . . 0.0 112.918 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -63.38 -33.66 76.02 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 112.68 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.87 -21.45 65.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -80.31 -8.25 59.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -173.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -152.19 148.9 28.15 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -168.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -162.09 35.8 0.12 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.012 1.725 . . . . 0.0 111.971 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -152.39 166.14 32.81 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.476 1.51 . . . . 0.0 111.651 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.49 170.68 9.31 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.367 1.467 . . . . 0.0 112.685 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.8 m -84.7 142.93 29.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.649 1.18 . . . . 0.0 112.974 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -56.42 -34.84 67.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.223 1.409 . . . . 0.0 113.301 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.58 -33.31 68.96 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.275 0.943 . . . . 0.0 112.283 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -71.6 -42.35 67.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.427 1.091 . . . . 0.0 110.516 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.34 -43.4 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 110.703 171.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.21 -46.49 88.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.124 0.969 . . . . 0.0 112.148 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.35 -33.12 75.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.708 0.803 . . . . 0.0 112.878 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.19 80.84 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.354 -0.841 . . . . 0.0 112.514 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' A' ' 142' ' ' VAL . 79.5 m-85 -69.45 -39.28 77.89 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.915 0.78 . . . . 0.0 112.305 171.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.73 -28.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.042 0.937 . . . . 0.0 112.723 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.87 -39.27 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.006 0.922 . . . . 0.0 112.121 168.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -83.68 -20.34 33.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 73.18 2.04 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.783 1.278 . . . . 0.0 111.237 168.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -64.85 -19.27 65.78 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.403 1.881 . . . . 0.0 115.441 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.46 -18.25 21.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.174 1.39 . . . . 0.0 113.429 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.71 22.68 68.95 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.332 0.968 . . . . 0.0 113.33 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.52 -21.64 48.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.956 1.302 . . . . 0.0 114.346 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.05 7.47 77.36 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.988 1.28 . . . . 0.0 114.047 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -140.71 157.04 46.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.114 1.766 . . . . 0.0 111.924 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -133.4 155.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.642 1.577 . . . . 0.0 109.874 174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.7 m -77.21 143.33 39.08 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.894 -1.129 . . . . 0.0 111.587 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.9 78.02 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.072 -1.017 . . . . 0.0 112.802 178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.74 73.04 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.549 0.74 . . . . 0.0 112.829 172.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -71.28 -44.86 64.41 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.369 1.068 . . . . 0.0 110.54 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.46 -33.62 75.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.079 0.952 . . . . 0.0 112.599 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.5 -51.54 65.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.382 0.673 . . . . 0.0 110.722 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -66.26 -45.19 81.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.874 0.87 . . . . 0.0 112.914 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.97 -17.22 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.248 -0.907 . . . . 0.0 112.691 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -95.63 -18.75 20.29 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.215 1.406 . . . . 0.0 114.264 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -108.47 -20.51 13.09 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.951 1.3 . . . . 0.0 113.183 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -94.88 -38.11 10.87 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.684 1.194 . . . . 0.0 113.072 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.23 154.81 27.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.149 1.38 . . . . 0.0 113.162 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.88 -144.08 33.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.835 1.207 . . . . 0.0 113.441 171.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.7 117.1 23.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.776 1.23 . . . . 0.0 108.433 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -65.04 126.65 28.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.323 -0.861 . . . . 0.0 112.639 -169.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.72 146.31 30.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.258 1.023 . . . . 0.0 110.382 170.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.1 p -71.26 168.13 17.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 122.493 1.139 . . . . 0.0 111.795 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.77 -31.88 62.98 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.573 -1.649 . . . . 0.0 112.244 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.82 -44.76 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.151 0.981 . . . . 0.0 111.874 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.27 -47.38 76.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.538 0.735 . . . . 0.0 111.721 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.91 -33.06 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.438 0.563 . . . . 0.0 111.856 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.94 -48.4 79.05 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.827 0.74 . . . . 0.0 110.708 170.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.29 -41.78 97.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.177 0.591 . . . . 0.0 112.096 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.4 ttm -59.52 -46.34 89.12 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.59 -0.693 . . . . 0.0 112.3 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.3 mm -72.68 -40.92 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.302 0.641 . . . . 0.0 110.955 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.4 ttm-85 -56.49 -35.9 68.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.832 1.253 . . . . 0.0 112.771 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -76.02 -11.69 59.99 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.96 -39.11 7.49 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.864 1.265 . . . . 0.0 113.275 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.36 -15.39 61.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.249 1.819 . . . . 0.0 114.66 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.31 -5.73 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -154.86 147.86 24.66 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.757 1.623 . . . . 0.0 111.879 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.52 -105.05 2.79 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.375 0.988 . . . . 0.0 112.912 176.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -159.05 176.61 12.07 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.291 1.836 . . . . 0.0 111.302 -165.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.13 -6.01 51.01 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.28 0.943 . . . . 0.0 114.646 172.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.55 119.34 25.08 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.578 1.189 . . . . 0.0 109.884 162.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -86.87 123.57 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 125.815 1.646 . . . . 0.0 109.245 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -78.79 89.74 4.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.94 0.876 . . . . 0.0 109.124 165.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 39.7 p90 -66.52 -28.29 68.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.05 -41.2 95.39 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.731 0.813 . . . . 0.0 112.009 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -38.98 75.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.722 0.409 . . . . 0.0 111.905 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.13 -35.89 76.28 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.609 -0.71 . . . . 0.0 112.784 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 45.5 t -53.33 -61.55 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.803 0.841 . . . . 0.0 110.312 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.41 -31.21 71.83 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.9 mtm -62.27 -32.17 72.85 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.012 0.824 . . . . 0.0 113.148 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -93.34 -32.41 14.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.1 p -88.58 -31.44 18.62 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.991 1.268 . . . . 0.0 114.137 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -103.77 165.23 11.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.326 1.05 . . . . 0.0 113.052 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt . . . . . 0 C--O 1.255 1.372 0 C-N-CA 125.705 1.602 . . . . 0.0 112.031 176.732 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 CA-C-O 119.238 -0.756 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.45 151.08 53.03 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.0 3.133 . . . . 0.0 112.014 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -98.62 160.57 20.37 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.002 1.287 . . . . 0.0 112.909 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 30.8 m -64.36 -37.62 88.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.235 1.014 . . . . 0.0 110.854 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.46 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.139 1.776 . . . . 0.0 111.752 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.01 -43.98 81.51 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.338 -0.852 . . . . 0.0 111.881 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.7 m -71.33 -32.43 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.916 -0.49 . . . . 0.0 112.275 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 74.3 m -64.98 -46.84 79.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.179 0.9 . . . . 0.0 111.725 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.55 -44.91 69.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.586 0.754 . . . . 0.0 111.854 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.29 -28.13 67.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 74.6 t -75.18 -39.41 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.181 1.355 . . . . 0.0 111.24 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.88 -41.83 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.534 -0.729 . . . . 0.0 110.593 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -66.34 -36.41 82.85 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.5 1.12 . . . . 0.0 111.58 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -62.38 -43.02 99.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.244 1.017 . . . . 0.0 111.771 172.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.61 86.6 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.948 0.899 . . . . 0.0 112.545 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -67.45 -44.68 78.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.839 0.456 . . . . 0.0 111.65 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -70.02 -26.54 64.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -62.89 -55.21 28.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.478 0.711 . . . . 0.0 110.495 163.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.7 t60 -58.17 -44.06 87.76 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.869 1.268 . . . . 0.0 114.341 -174.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.37 -29.71 64.26 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.95 -40.79 87.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.494 0.718 . . . . 0.0 111.436 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.15 -39.43 78.83 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.202 0.601 . . . . 0.0 111.16 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 38.8 ttm-85 -61.97 -45.88 91.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.754 0.822 . . . . 0.0 112.765 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 66.2 m -92.1 -9.09 43.88 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -174.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 64.07 -3.27 0.48 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.201 2.6 . . . . 0.0 114.553 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.6 tttp 74.63 141.02 0.07 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 129.222 3.009 . . . . 0.0 112.14 -171.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 36.5 m80 -76.76 -14.33 59.94 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -120.01 146.18 46.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.968 1.707 . . . . 0.0 111.108 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 48.9 m -94.95 0.3 54.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 80.9 t80 -70.32 -33.19 71.22 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 40.0 tp . . . . . 0 C--O 1.253 1.242 0 C-N-CA 124.811 1.244 . . . . 0.0 112.439 -179.626 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.933 0.397 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -101.88 -1.62 31.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.768 1.227 . . . . 0.0 113.835 -170.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -123.97 143.16 50.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.48 1.512 . . . . 0.0 111.068 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.24 149.76 19.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -87.11 157.82 19.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.579 1.552 . . . . 0.0 111.814 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.49 -37.92 76.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.49 0.716 . . . . 0.0 112.463 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -24.09 63.82 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -84.38 -42.46 15.68 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.908 0.776 . . . . 0.0 110.777 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -56.76 -40.02 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.692 1.197 . . . . 0.0 111.66 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.68 70.96 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.587 1.155 . . . . 0.0 113.654 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.63 -40.15 19.37 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.959 0.904 . . . . 0.0 111.331 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -65.87 -33.64 76.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.318 0.647 . . . . 0.0 112.306 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.84 -44.08 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.044 0.938 . . . . 0.0 112.571 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.98 -31.74 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.936 1.294 . . . . 0.0 112.471 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.4 -39.51 24.86 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.487 -0.758 . . . . 0.0 112.507 171.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -65.71 -38.17 88.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.345 1.058 . . . . 0.0 112.581 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -66.26 -20.88 66.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.88 -24.65 52.57 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.063 -1.023 . . . . 0.0 112.465 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -92.73 -11.34 34.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.347 1.459 . . . . 0.0 112.911 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.24 66.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.91 1.684 . . . . 0.0 111.498 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.29 -28.44 67.18 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.461 1.904 . . . . 0.0 113.309 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.15 -22.7 48.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.324 1.05 . . . . 0.0 113.118 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.22 89.51 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.489 1.519 . . . . 0.0 115.011 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.74 -9.3 56.21 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.157 1.383 . . . . 0.0 113.608 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 20.24 25.88 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.13 1.348 . . . . 0.0 113.458 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.2 p -120.54 150.84 40.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.756 1.622 . . . . 0.0 111.812 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.6 pt -122.93 163.24 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.923 1.289 . . . . 0.0 110.617 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -78.5 166.36 22.68 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.967 0.889 . . . . 0.0 112.118 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -64.75 -28.33 69.51 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.607 1.163 . . . . 0.0 112.329 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -77.78 -35.45 51.56 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -17.9 60.76 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.239 0.927 . . . . 0.0 112.862 174.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -49.58 73.96 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.13 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.46 -28.05 72.59 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.734 0.683 . . . . 0.0 113.253 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -73.58 -50.16 22.64 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.564 1.146 . . . . 0.0 110.495 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.7 -33.18 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 119.584 1.083 . . . . 0.0 112.214 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -55.84 -55.02 37.45 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.031 0.832 . . . . 0.0 111.128 169.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.95 -24.24 59.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.707 0.803 . . . . 0.0 112.97 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -69.68 -36.11 75.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.272 1.029 . . . . 0.0 111.94 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.97 -25.52 43.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 113.006 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.65 17.68 10.95 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.28 1.419 . . . . 0.0 115.195 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.029 1.415 . . . . 0.0 109.033 166.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -122.99 69.63 38.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.462 1.105 . . . . 0.0 111.466 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -71.62 159.56 50.72 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.841 2.361 . . . . 0.0 110.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -69.67 164.42 23.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.692 . . . . 0.0 110.398 165.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.46 -37.99 73.74 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.507 -0.746 . . . . 0.0 111.683 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.91 71.67 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.086 0.954 . . . . 0.0 112.764 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.19 -37.12 77.98 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.241 0.928 . . . . 0.0 111.932 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.07 -49.28 76.57 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 110.76 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -37.9 83.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.478 0.711 . . . . 0.0 111.706 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.02 -36.94 83.22 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -68.2 -38.05 81.56 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.249 0.931 . . . . 0.0 111.015 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -53.62 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.215 0.606 . . . . 0.0 110.164 172.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -57.16 -25.84 59.59 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.259 1.024 . . . . 0.0 113.614 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.57 -26.9 64.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.863 0.865 . . . . 0.0 112.449 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -114.06 -30.05 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.37 27.46 6.22 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.803 1.641 . . . . 0.0 112.651 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.17 -26.16 62.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.915 1.286 . . . . 0.0 113.547 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -82.79 -8.91 59.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.662 1.585 . . . . 0.0 113.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.55 54.6 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.666 1.127 . . . . 0.0 115.79 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.38 -24.92 59.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 1.29 . . . . 0.0 114.149 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.47 9.55 84.68 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.799 1.19 . . . . 0.0 114.225 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.5 p -141.25 158.64 43.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.243 1.817 . . . . 0.0 112.203 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.33 126.54 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 126.555 1.942 . . . . 0.0 108.528 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -87.38 155.34 20.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.443 1.497 . . . . 0.0 111.465 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 30.4 t80 -49.78 -48.54 77.07 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.47 -24.22 42.81 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.181 1.921 . . . . 0.0 113.65 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.74 -42.96 60.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.492 1.042 . . . . 0.0 110.621 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.05 -41.9 93.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.917 1.287 . . . . 0.0 111.843 170.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.15 -33.22 75.28 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.295 -0.878 . . . . 0.0 112.491 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 m -67.3 -46.51 73.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.259 1.024 . . . . 0.0 111.236 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.17 -35.46 80.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.358 0.981 . . . . 0.0 112.197 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.8 mmm -69.61 -41.78 75.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.02 0.928 . . . . 0.0 112.683 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.23 66.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.515 1.526 . . . . 0.0 111.288 173.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.89 -21.07 60.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.731 1.612 . . . . 0.0 114.103 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.86 -17.59 46.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.738 1.215 . . . . 0.0 113.55 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.4 mmt -78.5 152.94 31.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.245 1.018 . . . . 0.0 111.979 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.36 141.2 32.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.765 1.226 . . . . 0.0 112.029 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -97.0 -17.21 20.19 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.032 1.333 . . . . 0.0 113.203 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 t -83.25 -178.89 7.24 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.637 1.575 . . . . 0.0 113.053 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -65.91 149.89 49.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.021 1.728 . . . . 0.0 113.435 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.2 m -79.75 158.98 26.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.408 1.083 . . . . 0.0 113.432 -176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.55 -39.42 70.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.639 1.176 . . . . 0.0 112.46 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.65 -34.21 77.37 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 112.693 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.26 -40.59 70.88 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.231 0.923 . . . . 0.0 110.462 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.83 -43.37 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.627 0.771 . . . . 0.0 110.052 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -66.33 -42.47 88.13 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.88 -35.43 78.31 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.054 0.942 . . . . 0.0 111.756 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.21 91.31 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.824 0.738 . . . . 0.0 111.123 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -63.77 -38.26 90.44 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.733 -0.604 . . . . 0.0 112.439 170.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -69.77 -26.19 64.17 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.88 -34.71 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.194 0.998 . . . . 0.0 111.668 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -87.29 -15.94 36.59 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.65 124.47 22.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.067 0.947 . . . . 0.0 109.923 165.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -80.35 -8.22 59.41 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -134.21 -21.88 1.81 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.949 1.3 . . . . 0.0 113.856 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.17 22.64 51.44 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 124.867 1.222 . . . . 0.0 112.504 -168.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -73.13 -22.3 60.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.765 1.626 . . . . 0.0 114.539 -173.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.09 17.13 33.09 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.24 1.4 . . . . 0.0 113.254 -173.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -143.05 142.88 31.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.362 1.465 . . . . 0.0 112.857 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.11 156.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.22 1.408 . . . . 0.0 110.728 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -78.29 138.75 38.76 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.258 -0.901 . . . . 0.0 111.419 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.14 72.36 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.148 -0.97 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.99 82.12 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.178 -0.951 . . . . 0.0 112.722 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 -45.49 68.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.588 0.755 . . . . 0.0 110.496 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.82 -34.19 72.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.538 1.135 . . . . 0.0 112.568 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.15 -46.19 68.2 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.829 0.852 . . . . 0.0 111.19 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -71.06 -43.57 67.53 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.147 0.979 . . . . 0.0 113.308 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.18 -44.04 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 118.928 0.785 . . . . 0.0 111.588 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -67.95 -26.61 66.04 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.309 1.043 . . . . 0.0 113.663 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -95.66 -3.56 45.94 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.58 -19.92 0.84 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.26 152.52 24.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.054 1.297 . . . . 0.0 111.567 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.5 -145.57 49.98 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.806 0.717 . . . . 0.0 111.712 -172.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.62 135.22 36.52 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 161.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.13 129.86 40.55 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.097 -1.002 . . . . 0.0 112.716 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.93 149.05 32.45 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 110.991 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -74.92 153.53 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.467 1.107 . . . . 0.0 111.398 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.48 -42.89 79.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.59 1.156 . . . . 0.0 111.748 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.64 -11.99 61.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 113.463 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -96.49 -53.97 3.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.446 1.498 . . . . 0.0 110.275 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -65.79 -30.96 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.655 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.4 -29.42 67.16 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.991 -1.068 . . . . 0.0 112.191 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.34 -38.69 55.56 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.508 0.723 . . . . 0.0 111.438 170.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttm -55.14 -48.16 74.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.081 0.552 . . . . 0.0 110.781 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.35 -39.34 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.017 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -56.4 -41.56 76.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.669 1.122 . . . . 0.0 112.356 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -82.05 -19.7 39.78 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.18 -34.8 12.78 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.98 -23.41 48.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.7 1.2 . . . . 0.0 114.011 -172.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -60.94 139.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.308 1.043 . . . . 0.0 112.961 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 t70 70.48 -24.71 0.16 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.564 2.746 . . . . 0.0 114.678 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.09 160.71 38.87 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.426 1.489 . . . . 0.0 113.87 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.02 38.35 0.88 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.239 1.816 . . . . 0.0 112.313 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.93 -9.62 65.39 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.045 1.307 . . . . 0.0 114.191 -171.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -100.49 136.96 39.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.966 1.306 . . . . 0.0 109.712 171.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.31 121.74 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 126.22 1.808 . . . . 0.0 109.181 -174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -77.78 78.15 4.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.351 1.06 . . . . 0.0 110.382 165.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -58.39 -21.27 49.78 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -56.58 -40.37 75.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.117 0.967 . . . . 0.0 111.833 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -75.24 -33.8 61.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.352 1.061 . . . . 0.0 111.153 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -64.78 -39.71 94.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 111.937 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.13 -45.22 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.332 0.653 . . . . 0.0 110.838 171.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -62.96 -40.98 99.32 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.343 0.52 . . . . 0.0 111.837 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.62 -35.37 79.37 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.314 -0.867 . . . . 0.0 112.483 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.0 mtm -71.05 -38.53 72.53 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.7 p -91.17 -15.21 29.71 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.4 163.01 11.44 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.534 1.134 . . . . 0.0 113.993 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.139 2.175 . . . . 0.0 112.253 -175.89 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.86 171.24 18.65 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.826 3.017 . . . . 0.0 112.978 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -79.03 -78.36 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.612 1.101 . . . . 0.0 112.805 -172.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 24.7 m -80.26 -39.56 28.68 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.287 0.635 . . . . 0.0 111.365 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -57.73 -38.23 74.95 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.598 1.959 . . . . 0.0 112.381 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.61 -41.96 78.8 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.8 -0.562 . . . . 0.0 111.975 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.8 m -83.81 -27.16 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.53 0.732 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 64.6 m -61.95 -41.01 97.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.09 -1.006 . . . . 0.0 111.425 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.78 70.68 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.8 -40.1 76.18 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.805 0.842 . . . . 0.0 112.792 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 77.3 t -70.11 -36.12 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.955 0.798 . . . . 0.0 111.487 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -50.96 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.504 0.593 . . . . 0.0 111.576 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.66 -27.27 63.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.55 -43.06 97.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.047 0.839 . . . . 0.0 111.485 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.34 75.07 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.543 0.737 . . . . 0.0 111.541 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.97 -44.42 92.79 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.65 -39.68 88.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.641 0.776 . . . . 0.0 112.402 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.88 -34.64 78.88 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.558 0.617 . . . . 0.0 112.24 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.41 -47.85 66.19 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 112.72 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.64 -31.69 70.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.197 0.908 . . . . 0.0 113.053 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.39 -27.48 67.46 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.321 0.649 . . . . 0.0 112.436 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -76.11 -22.16 55.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.271 0.942 . . . . 0.0 112.605 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -83.65 -38.91 20.92 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.101 0.96 . . . . 0.0 112.039 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 60.9 m -83.68 -31.4 26.14 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 66.13 -57.04 0.36 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 130.274 3.43 . . . . 0.0 112.763 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -82.77 154.79 24.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.336 1.455 . . . . 0.0 111.898 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 35.1 p80 -80.38 164.17 23.31 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.091 0.957 . . . . 0.0 112.568 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -81.95 173.64 12.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.423 1.089 . . . . 0.0 112.255 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 52.7 m -129.23 151.79 49.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.643 1.177 . . . . 0.0 111.507 172.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -90.24 -18.66 25.27 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -168.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.372 1.469 . . . . 0.0 114.183 -179.45 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.006 0.432 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -96.04 16.33 18.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.004 1.722 . . . . 0.0 112.902 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -155.5 137.9 14.91 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.225 1.81 . . . . 0.0 109.722 -172.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tp -78.02 148.13 34.5 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.599 1.159 . . . . 0.0 111.98 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -104.43 159.17 15.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.46 -32.23 73.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.332 0.653 . . . . 0.0 112.735 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.18 -27.03 64.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 112.747 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.74 -44.17 34.24 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.582 -0.698 . . . . 0.0 109.885 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.48 -43.76 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.101 0.961 . . . . 0.0 111.023 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -76.7 -48.01 20.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.034 1.334 . . . . 0.0 110.958 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -66.47 -26.08 67.02 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.56 -39.56 84.43 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.609 0.764 . . . . 0.0 112.298 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.75 -34.39 73.75 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.29 -43.03 61.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.455 0.571 . . . . 0.0 112.321 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.92 -40.56 95.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.417 1.087 . . . . 0.0 111.768 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 m -70.12 -15.65 63.0 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -29.13 62.45 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.667 1.121 . . . . 0.0 112.355 172.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -87.84 -13.42 42.18 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.501 1.521 . . . . 0.0 113.196 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -76.38 76.79 3.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.926 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -73.44 -23.35 60.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.153 1.381 . . . . 0.0 113.508 -176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.4 -19.56 27.92 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.011 1.325 . . . . 0.0 113.707 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.91 11.65 81.08 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.939 1.257 . . . . 0.0 114.536 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.13 -4.67 51.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.571 1.548 . . . . 0.0 113.665 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.63 21.71 46.37 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.901 1.239 . . . . 0.0 114.092 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -126.45 159.33 33.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.431 1.492 . . . . 0.0 111.43 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.13 160.22 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.708 1.203 . . . . 0.0 110.649 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -70.92 149.14 47.02 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 166.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.7 p -56.26 -31.86 63.98 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.983 0.913 . . . . 0.0 112.189 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.75 -23.43 66.09 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.725 1.21 . . . . 0.0 114.166 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.86 -10.05 55.99 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.004 0.922 . . . . 0.0 113.015 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.73 -48.33 82.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.69 1.132 . . . . 0.0 111.131 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.8 -26.6 67.21 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-O 119.404 -0.665 . . . . 0.0 112.255 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -75.56 -48.75 21.04 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.945 1.298 . . . . 0.0 111.15 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.27 -34.76 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-N 120.15 1.341 . . . . 0.0 111.464 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.9 mtp -64.58 -40.3 95.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.579 0.627 . . . . 0.0 111.729 173.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -66.49 -39.83 88.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.311 1.045 . . . . 0.0 112.59 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -64.66 -26.23 68.3 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.114 -0.991 . . . . 0.0 113.22 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -89.0 11.03 19.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.732 1.613 . . . . 0.0 113.495 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.17 9.91 86.61 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.648 1.118 . . . . 0.0 115.219 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -88.77 148.24 24.04 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.327 1.063 . . . . 0.0 109.915 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -131.09 66.18 78.37 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.839 0.856 . . . . 0.0 112.573 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.26 151.52 71.92 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.816 2.344 . . . . 0.0 110.807 170.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 p -72.76 168.84 17.96 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.826 0.851 . . . . 0.0 110.55 166.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.87 -35.27 72.71 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.915 -0.49 . . . . 0.0 111.293 170.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.57 66.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.156 0.982 . . . . 0.0 112.246 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -60.41 -42.32 95.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.609 0.764 . . . . 0.0 111.567 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.61 -47.24 73.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.866 0.867 . . . . 0.0 111.451 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.93 -35.68 80.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.46 0.573 . . . . 0.0 112.247 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -64.56 -34.92 79.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.291 1.036 . . . . 0.0 113.172 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.2 mtm -77.59 -36.85 51.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.428 0.558 . . . . 0.0 111.313 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.99 -61.02 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.233 1.013 . . . . 0.0 110.887 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.28 -19.11 65.19 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.59 1.086 . . . . 0.0 113.686 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -68.47 -36.83 79.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.597 1.159 . . . . 0.0 112.557 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.1 -30.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.498 0.719 . . . . 0.0 112.644 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -90.51 32.99 0.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.601 1.561 . . . . 0.0 112.39 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.67 67.51 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.805 1.242 . . . . 0.0 113.475 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -82.86 -11.2 58.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.763 1.225 . . . . 0.0 113.698 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.68 78.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.909 1.242 . . . . 0.0 115.323 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -71.39 -20.49 62.13 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.931 1.366 . . . . 0.0 114.25 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.97 15.46 72.52 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.115 1.341 . . . . 0.0 113.765 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 p -134.85 159.38 41.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 112.746 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 mt -131.67 132.6 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.44 1.896 . . . . 0.0 108.948 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.06 153.85 18.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.426 1.49 . . . . 0.0 111.205 174.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.41 -44.19 98.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -171.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.07 -32.31 91.67 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.044 2.496 . . . . 0.0 114.273 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.06 -41.43 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.12 0.968 . . . . 0.0 110.745 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -62.7 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.336 1.055 . . . . 0.0 112.054 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.81 -27.88 68.58 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.184 -0.947 . . . . 0.0 112.999 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -37.67 88.38 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.993 0.917 . . . . 0.0 110.902 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.8 mtt -60.71 -48.19 82.89 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.361 0.665 . . . . 0.0 110.985 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.72 -48.04 78.67 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.443 1.097 . . . . 0.0 111.925 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.72 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.247 1.019 . . . . 0.0 113.256 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -68.99 -43.59 74.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.126 1.371 . . . . 0.0 113.033 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -87.92 -5.57 58.49 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mmt -65.4 -17.44 64.54 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.19 113.33 10.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.307 -0.871 . . . . 0.0 112.164 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -149.95 -0.33 0.45 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.941 1.296 . . . . 0.0 114.142 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -81.18 153.73 27.06 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.961 1.304 . . . . 0.0 111.959 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -78.23 162.42 26.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.1 1.36 . . . . 0.0 112.462 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -60.42 126.79 28.8 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -165.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.59 -37.07 84.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.724 0.809 . . . . 0.0 111.494 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.56 -35.9 82.2 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.724 0.81 . . . . 0.0 112.158 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.14 -38.61 88.56 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.702 0.801 . . . . 0.0 111.033 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.19 -38.99 64.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.419 1.088 . . . . 0.0 110.604 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.76 -45.77 84.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.81 -25.23 64.57 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.737 0.699 . . . . 0.0 112.376 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.98 99.19 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.582 -0.699 . . . . 0.0 110.901 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -64.88 -36.77 85.42 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 170.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -65.23 -30.49 71.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.807 0.843 . . . . 0.0 113.197 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.61 -33.8 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-N 119.456 1.025 . . . . 0.0 111.774 170.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -97.79 2.49 49.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.448 1.499 . . . . 0.0 114.126 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -76.21 133.26 40.18 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.425 1.09 . . . . 0.0 110.479 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -16.77 64.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -145.23 -19.67 0.49 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.531 1.532 . . . . 0.0 114.026 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.43 23.6 36.41 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.767 1.175 . . . . 0.0 112.063 -166.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.57 -19.82 57.48 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.237 1.415 . . . . 0.0 114.402 -170.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.27 16.88 31.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.855 1.693 . . . . 0.0 113.714 -174.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -145.36 141.37 28.43 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.463 1.505 . . . . 0.0 112.133 -172.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 pt -132.84 153.67 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.266 1.426 . . . . 0.0 110.745 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -78.22 136.21 37.75 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.004 -1.06 . . . . 0.0 111.173 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.93 74.53 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.2 -0.937 . . . . 0.0 113.218 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.6 83.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.16 0.984 . . . . 0.0 112.702 173.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -68.18 -44.28 76.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.812 0.845 . . . . 0.0 110.122 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.31 -51.95 66.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.411 1.084 . . . . 0.0 110.511 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -54.94 -44.96 74.77 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.371 1.068 . . . . 0.0 111.896 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.73 -43.22 84.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.945 0.898 . . . . 0.0 113.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.0 -43.71 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.978 . . . . 0.0 110.433 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.0 mmt -74.16 -16.94 60.98 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.6 p -108.4 -16.59 14.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.933 1.293 . . . . 0.0 113.531 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.07 -49.35 3.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.422 1.089 . . . . 0.0 112.961 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.44 143.07 27.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.163 1.385 . . . . 0.0 112.407 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.98 -157.52 52.32 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 125.028 1.299 . . . . 0.0 113.526 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.19 147.93 50.6 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.309 -0.524 . . . . 0.0 109.93 161.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -94.2 149.77 20.93 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -163.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.97 134.06 36.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.461 1.504 . . . . 0.0 109.435 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -70.52 155.95 40.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.824 1.249 . . . . 0.0 110.468 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.11 -41.65 65.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.711 1.204 . . . . 0.0 112.961 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.41 -14.13 60.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.655 1.182 . . . . 0.0 113.147 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -94.94 -51.7 4.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.547 1.539 . . . . 0.0 110.717 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.05 -32.54 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.392 -0.817 . . . . 0.0 112.579 -173.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.12 -47.1 72.16 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.819 0.736 . . . . 0.0 110.682 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.78 -37.14 80.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.129 0.972 . . . . 0.0 112.49 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.4 ttm -57.48 -29.43 64.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.895 0.878 . . . . 0.0 112.46 172.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.59 -39.68 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.482 0.713 . . . . 0.0 111.606 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -59.15 -31.46 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.176 1.353 . . . . 0.0 112.626 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -83.68 -6.79 59.53 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.183 0.993 . . . . 0.0 113.625 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.93 -35.07 7.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.887 1.675 . . . . 0.0 113.303 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.18 -15.06 62.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.522 1.929 . . . . 0.0 113.812 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.7 pt -62.45 -11.72 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.215 1.806 . . . . 0.0 114.849 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.01 -15.43 62.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.245 1.018 . . . . 0.0 113.229 172.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 4.34 52.83 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.559 1.383 . . . . 0.0 116.559 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -158.36 178.56 10.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.376 1.47 . . . . 0.0 112.425 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.11 -10.15 81.01 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-O 118.371 -1.239 . . . . 0.0 116.092 -171.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -90.28 126.52 35.87 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.698 1.749 . . . . 0.0 110.644 170.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.94 123.24 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.946 1.698 . . . . 0.0 108.734 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -78.03 85.03 4.26 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 164.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -64.93 -23.13 67.13 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -170.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.42 -35.35 75.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.557 1.143 . . . . 0.0 112.314 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.17 -40.3 24.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.45 0.7 . . . . 0.0 111.028 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.7 -41.51 86.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.85 0.75 . . . . 0.0 112.874 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.94 -51.77 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.307 0.643 . . . . 0.0 110.79 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -71.78 -28.29 63.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.6 -34.29 76.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -91.96 -25.57 18.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 51.5 p -75.41 -23.61 57.03 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.449 1.477 . . . . 0.0 112.46 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.36 163.25 28.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.446 1.099 . . . . 0.0 113.371 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.1 pttt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.749 2.02 . . . . 0.0 113.493 173.133 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 CA-C-O 119.103 -0.832 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -60.31 160.38 23.51 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.076 3.851 . . . . 0.0 113.666 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 96.3 -159.12 21.83 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 124.19 0.9 . . . . 0.0 113.345 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 57.5 m -122.01 -28.16 4.47 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.32 1.448 . . . . 0.0 112.77 -176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.55 -31.95 66.61 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 0.0 113.662 -164.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.42 -27.49 34.7 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.998 -1.064 . . . . 0.0 113.361 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 20.4 m -92.74 -34.01 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.056 0.844 . . . . 0.0 111.941 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 13.9 p -63.27 -38.3 90.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.56 -0.712 . . . . 0.0 111.681 171.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.52 67.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.806 171.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -79.78 -29.72 40.45 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 56.7 t -65.38 -39.36 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.296 0.953 . . . . 0.0 110.973 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.01 -41.4 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 121.814 -0.553 . . . . 0.0 110.89 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.99 -37.49 86.07 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.493 0.717 . . . . 0.0 111.878 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.5 -46.54 83.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.202 1.001 . . . . 0.0 112.178 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.53 77.56 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.021 . . . . 0.0 111.865 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.48 -39.22 88.65 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.457 0.703 . . . . 0.0 112.752 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.7 -35.57 75.19 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.267 -0.896 . . . . 0.0 112.441 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.21 -33.52 75.95 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.282 0.947 . . . . 0.0 111.964 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.07 -49.59 67.07 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.34 0.973 . . . . 0.0 112.249 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.81 -18.32 64.0 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.66 -29.54 68.12 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.489 1.04 . . . . 0.0 112.715 173.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.43 -30.81 29.85 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.99 0.814 . . . . 0.0 111.9 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -78.56 -37.89 41.61 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.522 1.129 . . . . 0.0 112.777 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.1 m -126.64 -0.15 6.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 -167.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? 68.97 -19.85 0.16 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 128.76 2.824 . . . . 0.0 115.556 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 12.0 mtmm 156.56 -38.43 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 1 C-N-CA 132.707 4.403 . . . . 0.0 111.24 177.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -169.03 148.89 4.17 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.855 2.462 . . . . 0.0 109.739 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -63.87 151.67 41.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.793 0.837 . . . . 0.0 112.916 176.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 76.7 p -164.53 -169.29 1.72 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.358 1.463 . . . . 0.0 111.737 -174.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -74.03 -11.16 60.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.562 1.145 . . . . 0.0 113.921 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.874 1.67 . . . . 0.0 111.7 -178.464 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.576 0.227 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -111.66 9.93 21.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.774 1.23 . . . . 0.0 112.73 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -170.53 158.99 6.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.629 1.972 . . . . 0.0 109.212 -170.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.27 157.87 36.24 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.347 -0.846 . . . . 0.0 111.663 162.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -133.17 165.49 24.65 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.491 1.916 . . . . 0.0 110.3 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.44 -38.82 69.53 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.193 0.997 . . . . 0.0 112.718 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.18 -22.85 61.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.427 1.091 . . . . 0.0 113.472 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -81.52 -45.23 16.23 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.506 -0.746 . . . . 0.0 110.068 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.88 -38.81 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.226 1.411 . . . . 0.0 111.389 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.96 68.54 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 113.599 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.94 -42.2 11.33 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.963 0.905 . . . . 0.0 111.623 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.92 -29.39 70.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -61.06 -32.74 72.37 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 173.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.66 -23.65 58.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.781 0.833 . . . . 0.0 112.934 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.83 -36.2 21.77 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.47 0.577 . . . . 0.0 111.633 169.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -69.19 -38.07 78.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.73 0.812 . . . . 0.0 112.38 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -63.91 -24.93 67.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -20.5 53.21 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -96.37 -21.5 17.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.016 1.326 . . . . 0.0 111.961 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.33 59.81 1.07 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.458 1.903 . . . . 0.0 111.248 167.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.37 -21.44 62.87 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.447 1.099 . . . . 0.0 113.48 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.67 -21.91 47.55 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.13 1.372 . . . . 0.0 112.832 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 5.35 89.7 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.801 1.667 . . . . 0.0 115.369 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -84.92 -10.74 56.78 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.988 1.315 . . . . 0.0 113.744 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 23.18 17.84 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.117 1.341 . . . . 0.0 113.499 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -129.12 149.97 50.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.731 1.612 . . . . 0.0 112.144 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 pt -117.13 160.31 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.726 1.211 . . . . 0.0 110.541 165.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 152.39 41.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -56.56 -30.71 63.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.227 1.011 . . . . 0.0 111.949 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.72 -34.81 77.6 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 113.305 173.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 -18.72 47.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.536 1.134 . . . . 0.0 112.562 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.75 -43.11 80.42 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.196 -0.94 . . . . 0.0 111.438 170.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.66 -15.3 57.35 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 118.779 -1.012 . . . . 0.0 113.675 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -95.94 -38.84 10.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.299 1.44 . . . . 0.0 111.605 172.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.45 -32.04 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 120.6 1.545 . . . . 0.0 112.074 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mmm -63.34 -39.03 93.41 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.527 0.603 . . . . 0.0 111.53 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -66.98 -40.42 87.42 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.642 0.777 . . . . 0.0 112.549 172.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -65.26 -27.77 68.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.203 1.001 . . . . 0.0 112.809 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.7 mt -89.1 2.52 53.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.552 1.541 . . . . 0.0 112.801 173.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.43 75.25 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 115.446 171.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.72 159.67 17.69 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.937 1.368 . . . . 0.0 111.766 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -134.76 69.94 71.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.119 1.368 . . . . 0.0 111.836 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.46 141.19 38.02 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.088 1.859 . . . . 0.0 109.538 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m -75.48 161.96 28.74 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 165.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -32.01 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.25 74.62 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.076 -1.015 . . . . 0.0 113.486 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.95 -38.27 79.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.243 0.929 . . . . 0.0 111.098 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 tp -64.92 -45.34 86.26 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.953 0.901 . . . . 0.0 110.782 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.27 -41.01 96.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.335 0.654 . . . . 0.0 111.67 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.25 -41.33 98.34 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 ptp -71.32 -32.87 69.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.894 0.77 . . . . 0.0 111.85 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.46 -53.89 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.226 1.01 . . . . 0.0 110.287 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -52.43 -32.92 41.62 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.546 1.066 . . . . 0.0 112.988 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.16 -18.02 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.322 1.049 . . . . 0.0 113.564 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.68 -27.47 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -96.54 24.58 5.79 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.911 1.684 . . . . 0.0 112.523 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.86 65.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.339 1.455 . . . . 0.0 113.892 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -82.72 -9.35 59.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.816 1.646 . . . . 0.0 113.184 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.97 26.99 47.31 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.174 1.368 . . . . 0.0 114.789 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -72.82 -30.07 63.75 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.467 1.134 . . . . 0.0 113.651 -174.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.71 6.4 89.4 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.181 1.372 . . . . 0.0 113.78 -174.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -140.08 158.17 44.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.43 1.892 . . . . 0.0 111.234 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.79 124.01 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.763 1.625 . . . . 0.0 108.663 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.29 153.23 36.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.902 1.281 . . . . 0.0 111.574 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -49.23 -49.71 68.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.582 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.34 -28.33 63.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.058 1.839 . . . . 0.0 114.098 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.45 -40.99 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.676 1.125 . . . . 0.0 111.007 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -58.49 -44.09 89.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.897 0.879 . . . . 0.0 111.451 170.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.27 -34.06 77.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.337 -0.852 . . . . 0.0 112.288 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -45.35 82.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.434 1.094 . . . . 0.0 111.663 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ptp -62.92 -29.99 71.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.933 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 71.2 mtp -73.77 -48.77 29.24 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.109 0.563 . . . . 0.0 111.046 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.36 70.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.492 1.117 . . . . 0.0 113.884 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -78.05 -31.19 50.21 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.65 1.18 . . . . 0.0 112.854 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.44 -22.16 18.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.0 mmt -73.27 99.68 2.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.498 1.519 . . . . 0.0 110.192 170.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -139.99 153.55 46.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.787 1.235 . . . . 0.0 112.17 -173.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.6 -10.26 59.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.277 1.031 . . . . 0.0 113.39 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -137.43 -176.86 4.54 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.894 2.077 . . . . 0.0 110.329 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.62 171.05 20.82 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.322 1.449 . . . . 0.0 112.751 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -63.17 123.18 17.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -156.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.43 -41.12 88.83 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.462 -0.774 . . . . 0.0 111.98 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.74 -33.74 76.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.911 0.884 . . . . 0.0 112.158 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.79 -41.34 78.88 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 111.012 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.57 -40.06 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.502 0.721 . . . . 0.0 110.427 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -62.36 -40.16 95.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.097 0.959 . . . . 0.0 112.405 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.52 -35.82 80.6 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.815 0.734 . . . . 0.0 111.988 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.88 89.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.196 0.598 . . . . 0.0 112.149 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.39 -34.61 74.78 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -60.8 -34.99 75.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.8 -19.93 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -85.61 -11.85 52.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 113.005 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -83.94 123.71 30.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.181 0.992 . . . . 0.0 109.71 170.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -71.1 -16.2 62.55 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.5 -19.93 3.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.441 1.496 . . . . 0.0 114.004 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.59 24.27 47.1 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.653 1.12 . . . . 0.0 112.746 -168.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.01 -24.74 60.78 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.46 1.504 . . . . 0.0 114.372 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.45 44.32 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.61 1.576 . . . . 0.0 113.651 -174.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.06 142.05 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.931 1.293 . . . . 0.0 113.847 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.47 160.03 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.517 1.927 . . . . 0.0 110.292 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -73.66 147.12 44.0 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.766 -1.209 . . . . 0.0 111.893 173.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.79 81.48 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.889 -1.132 . . . . 0.0 112.427 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.25 66.09 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.282 -0.886 . . . . 0.0 111.48 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.97 -46.03 90.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.947 1.299 . . . . 0.0 111.153 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.3 -46.22 90.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.775 0.83 . . . . 0.0 111.346 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -60.44 -39.62 88.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.119 0.568 . . . . 0.0 112.026 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.5 -52.66 20.33 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.571 0.748 . . . . 0.0 112.248 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.78 -27.29 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.249 0.931 . . . . 0.0 112.739 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.2 mmt -77.95 -27.24 49.24 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.1 p -91.83 -33.79 14.81 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.309 0.959 . . . . 0.0 112.255 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -82.28 -49.22 10.3 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.07 142.43 32.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.719 0.807 . . . . 0.0 112.254 -172.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.02 -146.28 39.44 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.867 1.223 . . . . 0.0 112.445 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.39 155.27 32.99 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.255 0.55 . . . . 0.0 110.449 163.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.77 126.58 33.54 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.674 -1.266 . . . . 0.0 112.521 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.37 142.04 33.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.788 1.235 . . . . 0.0 108.635 163.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.1 p -82.3 163.98 21.43 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.835 0.826 . . . . 0.0 112.912 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.8 -42.46 93.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.648 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.74 -20.39 63.51 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -86.68 -54.21 4.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.895 1.278 . . . . 0.0 110.125 172.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.94 -33.48 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.333 -0.854 . . . . 0.0 112.305 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.42 -30.98 70.0 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.715 1.143 . . . . 0.0 111.993 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.18 -41.59 73.53 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.45 0.7 . . . . 0.0 110.737 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.5 ttm -58.42 -48.53 80.37 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.708 0.803 . . . . 0.0 111.2 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.88 -39.85 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.594 0.757 . . . . 0.0 111.386 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -60.38 -45.44 93.52 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.296 0.953 . . . . 0.0 111.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -77.21 -21.62 53.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.76 44.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.818 0.847 . . . . 0.0 112.298 171.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.42 -31.56 72.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.099 1.359 . . . . 0.0 113.551 -174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.9 pt -75.15 -15.25 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.1 -29.91 10.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.254 1.422 . . . . 0.0 113.364 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -84.59 -156.4 24.89 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.379 1.466 . . . . 0.0 114.05 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -148.71 44.14 1.01 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 110.598 -174.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.76 -41.24 2.54 Favored Glycine 0 N--CA 1.478 1.481 0 C-N-CA 125.589 1.566 . . . . 0.0 111.684 -169.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -81.23 137.56 35.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.644 0.778 . . . . 0.0 109.114 155.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -88.18 123.9 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.924 1.69 . . . . 0.0 109.478 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -77.86 90.36 4.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 164.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -66.07 -26.89 67.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.07 -42.96 93.68 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.322 1.049 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -75.51 -29.52 59.52 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.225 1.01 . . . . 0.0 112.56 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.75 -39.6 91.23 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.185 -0.947 . . . . 0.0 112.94 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.44 -38.38 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.464 -0.773 . . . . 0.0 111.456 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -67.25 -21.37 65.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.0 mtm -84.57 -39.14 19.1 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.268 1.027 . . . . 0.0 112.192 168.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.4 ttm -63.73 -35.31 80.15 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 113.246 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.4 p -79.62 -11.87 59.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.31 167.02 18.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.766 1.227 . . . . 0.0 112.659 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.5 mttm . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.478 1.511 . . . . 0.0 110.993 169.427 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 118.565 -1.131 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.1 154.04 57.3 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.832 3.021 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -81.22 0.21 87.93 Favored Glycine 0 N--CA 1.478 1.475 0 C-N-CA 124.239 0.923 . . . . 0.0 115.404 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 33.2 p -119.75 -83.63 0.65 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.077 1.751 . . . . 0.0 111.287 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -49.75 -36.19 24.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 113.773 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.29 -35.07 75.63 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.72 0.808 . . . . 0.0 112.785 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.2 m -93.26 -29.03 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.821 0.849 . . . . 0.0 112.147 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 70.7 m -59.36 -39.93 84.85 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.083 -1.011 . . . . 0.0 111.606 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.51 78.54 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.084 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.0 mtm -65.83 -30.35 70.96 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.3 t -63.73 -45.36 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.195 0.907 . . . . 0.0 110.732 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.13 -41.43 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.759 -0.588 . . . . 0.0 111.09 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.65 -46.16 77.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 111.582 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -60.09 -47.62 85.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.082 0.953 . . . . 0.0 111.697 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.94 94.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.994 0.518 . . . . 0.0 111.723 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.55 -43.66 93.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.527 0.731 . . . . 0.0 112.424 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.36 -41.93 98.86 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.433 -0.792 . . . . 0.0 112.024 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.179 0.992 . . . . 0.0 112.365 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.94 -45.79 92.17 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.127 0.971 . . . . 0.0 113.143 170.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.28 -35.83 72.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.823 1.249 . . . . 0.0 113.322 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.06 -23.74 66.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -81.09 -37.02 29.66 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.77 0.714 . . . . 0.0 111.535 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -98.27 -18.98 18.08 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 97.0 p -86.32 -33.4 20.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.709 1.14 . . . . 0.0 113.538 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.49 12.26 3.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.579 2.352 . . . . 0.0 114.292 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 31.1 mtpp -75.45 163.41 27.44 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.708 -1.245 . . . . 0.0 112.977 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -131.16 145.83 52.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.329 1.452 . . . . 0.0 111.423 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -74.72 -7.68 54.07 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 25.7 p -76.05 -26.27 56.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.559 1.144 . . . . 0.0 113.002 170.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 27.3 m-85 70.8 -29.5 0.19 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 129.139 2.976 . . . . 0.0 115.349 173.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.257 1.483 0 C-N-CA 125.943 1.697 . . . . 0.0 112.963 177.871 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.576 0.227 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -114.31 7.99 16.59 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.585 1.554 . . . . 0.0 112.661 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -139.4 179.64 6.42 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.891 1.676 . . . . 0.0 110.772 -172.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -54.18 144.71 19.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.957 1.303 . . . . 0.0 113.643 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 p -82.54 163.43 21.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.822 1.249 . . . . 0.0 111.433 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.96 -34.33 73.13 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -25.71 50.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.07 -48.21 53.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.933 0.788 . . . . 0.0 110.137 167.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -55.97 -44.59 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.528 1.131 . . . . 0.0 110.933 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.46 71.34 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.72 -44.38 20.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.609 1.164 . . . . 0.0 111.192 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.08 -28.76 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.146 -0.971 . . . . 0.0 112.659 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.97 -38.68 76.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.314 1.045 . . . . 0.0 112.781 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -65.38 -40.49 93.56 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.578 0.751 . . . . 0.0 111.883 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.81 -43.11 63.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.341 0.656 . . . . 0.0 112.229 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.58 -39.57 93.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.245 1.018 . . . . 0.0 112.106 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -66.24 -22.05 66.31 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -27.92 64.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.534 1.061 . . . . 0.0 111.813 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -95.45 -5.06 43.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.148 1.779 . . . . 0.0 113.436 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.8 68.09 3.8 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.197 1.799 . . . . 0.0 110.971 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -65.51 -23.14 66.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.699 1.6 . . . . 0.0 114.978 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.69 -18.58 24.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.849 1.26 . . . . 0.0 113.282 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.02 90.38 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.267 1.413 . . . . 0.0 114.777 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -7.3 53.34 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.286 1.434 . . . . 0.0 113.683 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.18 28.08 9.54 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.986 1.279 . . . . 0.0 113.783 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 p -130.9 137.24 49.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.474 1.51 . . . . 0.0 111.477 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.64 159.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.012 0.925 . . . . 0.0 110.823 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -73.7 150.78 41.01 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -60.57 -37.95 83.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.174 0.99 . . . . 0.0 112.434 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.59 -25.92 67.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.34 -11.78 59.93 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.523 1.129 . . . . 0.0 112.836 175.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.38 -44.3 92.78 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 121.134 -0.979 . . . . 0.0 110.947 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -21.81 63.7 Favored Glycine 0 N--CA 1.471 1.02 0 C-N-CA 123.854 0.74 . . . . 0.0 113.0 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -83.36 -47.26 11.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.2 1.4 . . . . 0.0 111.313 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.62 -28.96 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.888 1.222 . . . . 0.0 111.884 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -53.42 -52.44 59.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.77 1.228 . . . . 0.0 110.851 166.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -72.41 -29.38 63.68 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.055 0.942 . . . . 0.0 113.346 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -63.44 -23.42 67.39 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.464 1.029 . . . . 0.0 113.12 167.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.91 15.89 27.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.885 1.674 . . . . 0.0 112.538 173.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.47 86.66 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.07 1.319 . . . . 0.0 115.734 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -89.74 130.92 35.93 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.907 1.283 . . . . 0.0 109.869 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -125.83 68.57 62.83 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.082 0.953 . . . . 0.0 112.231 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.67 152.51 42.63 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.604 2.87 . . . . 0.0 110.93 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -67.15 168.0 11.07 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 122.281 -0.262 . . . . 0.0 110.98 166.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.68 -36.49 72.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.497 -0.752 . . . . 0.0 111.613 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.46 67.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.194 0.997 . . . . 0.0 112.467 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.21 -34.38 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.081 0.855 . . . . 0.0 111.805 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -68.72 -47.73 65.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.695 0.798 . . . . 0.0 110.834 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.62 -36.57 78.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.751 0.82 . . . . 0.0 111.622 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.04 -34.51 77.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.137 0.975 . . . . 0.0 113.132 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.4 mtm -76.88 -41.16 44.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.54 -59.01 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.558 1.143 . . . . 0.0 110.892 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.95 -18.15 63.35 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.95 -45.52 67.26 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.31 1.044 . . . . 0.0 111.287 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.2 -33.19 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -107.62 56.07 0.64 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.41 1.484 . . . . 0.0 111.023 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.98 -22.95 66.5 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.265 1.026 . . . . 0.0 113.742 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.16 -15.35 44.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.325 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.38 41.1 9.42 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.471 1.034 . . . . 0.0 114.066 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -69.51 -26.72 64.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.669 1.188 . . . . 0.0 113.211 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 10.31 79.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.107 1.337 . . . . 0.0 113.217 -171.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -139.01 157.63 45.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.871 1.669 . . . . 0.0 112.314 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.52 134.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.081 1.752 . . . . 0.0 109.459 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.11 151.14 20.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.28 1.432 . . . . 0.0 111.513 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -52.89 -49.35 87.49 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.01 -25.42 51.75 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.084 1.856 . . . . 0.0 113.676 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -73.9 -42.96 59.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.633 1.106 . . . . 0.0 111.094 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.29 -42.5 91.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.614 1.166 . . . . 0.0 111.885 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.92 -34.31 77.83 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.78 -47.09 76.32 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.364 1.066 . . . . 0.0 111.5 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -63.81 -29.57 70.76 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.5 mmm -74.95 -41.31 59.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.099 0.96 . . . . 0.0 112.101 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.45 -50.16 74.73 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.24 1.416 . . . . 0.0 112.484 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.99 -19.66 53.56 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.402 1.881 . . . . 0.0 114.19 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -83.84 -26.51 29.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.0 mtt -87.6 165.74 15.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.338 1.055 . . . . 0.0 113.821 -166.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -148.65 153.91 38.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.912 2.085 . . . . 0.0 111.743 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.39 22.17 0.93 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.444 1.098 . . . . 0.0 113.194 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -147.6 176.02 10.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.425 1.09 . . . . 0.0 113.306 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -129.13 160.89 31.41 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.598 2.359 . . . . 0.0 111.346 -171.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.4 t -81.46 145.85 30.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -170.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.54 -32.93 59.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.089 0.956 . . . . 0.0 112.331 168.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -67.53 -35.62 79.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.719 0.691 . . . . 0.0 112.007 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.69 -43.68 65.53 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.221 1.008 . . . . 0.0 109.982 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.18 -43.81 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.325 1.05 . . . . 0.0 110.324 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -61.46 -46.25 90.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.978 0.911 . . . . 0.0 112.254 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -33.85 76.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.97 0.908 . . . . 0.0 112.604 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.394 -0.816 . . . . 0.0 111.876 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.22 -39.74 89.82 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 170.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.7 -35.98 81.47 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.802 0.841 . . . . 0.0 112.738 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.0 t -58.87 -30.65 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.004 0.922 . . . . 0.0 112.291 171.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.87 -11.47 39.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -71.44 136.41 47.65 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.618 1.167 . . . . 0.0 110.53 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -79.13 -11.41 59.98 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -147.86 -11.83 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.92 21.32 50.7 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.867 1.222 . . . . 0.0 112.469 -168.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -14.47 60.1 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -171.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.65 8.83 56.98 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.221 1.391 . . . . 0.0 114.708 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -136.83 146.23 45.38 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.4 158.65 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.797 2.039 . . . . 0.0 109.968 174.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -74.13 144.04 45.07 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.761 -1.212 . . . . 0.0 111.987 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.48 96.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 0.0 112.705 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.29 77.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.619 -0.675 . . . . 0.0 111.678 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.27 -40.88 81.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.917 0.887 . . . . 0.0 111.618 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.51 -48.65 80.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.987 0.915 . . . . 0.0 110.923 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -53.8 -46.7 71.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.327 0.651 . . . . 0.0 111.856 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.32 -48.59 64.49 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.359 -0.838 . . . . 0.0 113.007 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -20.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.928 -1.108 . . . . 0.0 112.459 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -12.1 51.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.658 1.583 . . . . 0.0 114.89 171.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.8 p -120.31 -13.7 8.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.401 1.455 . . . . 0.0 114.616 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.35 -5.73 23.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -132.08 161.12 34.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.773 2.029 . . . . 0.0 110.934 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.26 -144.37 49.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.436 1.017 . . . . 0.0 114.623 166.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.16 112.9 24.55 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.626 1.57 . . . . 0.0 109.957 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -69.6 156.77 38.41 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -168.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.27 166.96 23.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 110.942 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -80.22 163.14 24.25 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.012 1.325 . . . . 0.0 113.602 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.97 -35.45 64.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 113.843 -1.526 . . . . 0.0 111.796 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.14 -43.33 71.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.037 0.935 . . . . 0.0 111.569 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -68.61 -36.14 78.27 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.659 1.118 . . . . 0.0 112.298 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.6 m -70.44 -32.85 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 120.899 1.682 . . . . 0.0 112.628 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.83 -39.84 91.22 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.756 1.162 . . . . 0.0 111.399 174.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -60.6 -50.33 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.9 0.88 . . . . 0.0 111.095 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttm -57.82 -53.05 62.54 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.313 1.045 . . . . 0.0 111.844 -176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.85 -37.37 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.229 0.468 . . . . 0.0 111.634 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -62.16 -42.14 98.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.486 0.584 . . . . 0.0 111.805 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -79.94 -21.96 43.24 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 113.666 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.39 -51.37 6.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.589 1.156 . . . . 0.0 113.446 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.27 -43.92 10.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.776 1.23 . . . . 0.0 111.973 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mt 72.89 -62.93 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.215 2.606 . . . . 0.0 112.306 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -165.13 33.0 0.06 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.42 2.288 . . . . 0.0 111.095 -176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.49 -171.09 45.02 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.538 1.542 . . . . 0.0 114.118 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.25 4.59 22.99 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.206 1.402 . . . . 0.0 113.691 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.11 59.86 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 126.234 1.873 . . . . 0.0 113.664 -174.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.14 128.85 47.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.445 1.122 . . . . 0.0 109.719 171.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.37 121.98 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.748 1.619 . . . . 0.0 108.589 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.22 92.31 3.27 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 161.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -70.55 -24.36 62.78 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.432 -0.792 . . . . 0.0 112.523 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.41 -41.44 97.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.023 0.929 . . . . 0.0 111.894 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.35 -43.04 64.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.722 0.809 . . . . 0.0 111.82 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -61.43 -24.48 66.57 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.95 -38.81 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 118.921 0.782 . . . . 0.0 112.007 166.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -88.74 -23.17 22.99 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.415 0.686 . . . . 0.0 112.825 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.6 86.94 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.932 -1.105 . . . . 0.0 111.561 167.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.2 ptp -85.47 -5.44 59.29 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 50.8 p -94.1 -27.78 16.07 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.79 1.177 . . . . 0.0 111.854 164.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.88 165.15 24.73 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.816 1.246 . . . . 0.0 114.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.2 2.6 . . . . 0.0 110.147 176.138 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.396 0 CA-C-O 118.533 -1.148 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.2 155.37 40.46 Favored 'Trans proline' 0 CA--C 1.534 0.523 0 C-N-CA 124.244 3.296 . . . . 0.0 113.071 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -68.54 -5.4 43.88 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.901 0.762 . . . . 0.0 114.562 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 18.5 t -60.36 -36.81 78.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.421 1.489 . . . . 0.0 110.333 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.58 -47.81 83.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 111.799 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.36 -45.59 75.88 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.254 1.022 . . . . 0.0 111.677 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.1 m -70.93 -29.48 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.483 0.583 . . . . 0.0 112.283 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -66.01 -48.73 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.304 0.956 . . . . 0.0 111.68 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.77 61.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.739 0.816 . . . . 0.0 112.333 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.02 -24.83 67.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.1 t -78.68 -33.8 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.472 1.033 . . . . 0.0 111.052 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 49.2 mt -75.02 -42.48 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.184 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -63.59 -41.28 98.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.787 0.835 . . . . 0.0 112.118 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 7.8 ptm85 -69.62 -36.51 76.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.436 1.016 . . . . 0.0 112.299 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -70.12 -37.19 75.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.768 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 46.9 t80 -72.38 -41.75 66.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.68 -0.637 . . . . 0.0 112.135 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -59.93 -43.4 94.96 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.94 0.791 . . . . 0.0 111.269 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -57.09 -48.98 77.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 111.072 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.44 -46.06 84.01 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.228 0.922 . . . . 0.0 113.14 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.46 -40.42 93.16 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.358 0.981 . . . . 0.0 112.283 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 49.0 tp -64.52 -39.4 93.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.077 0.951 . . . . 0.0 111.588 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -70.37 -37.94 74.66 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.007 0.923 . . . . 0.0 112.047 175.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -70.46 -48.83 54.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.524 1.129 . . . . 0.0 112.37 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.9 m -131.68 3.27 4.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -162.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.47 12.29 3.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.473 1.909 . . . . 0.0 113.169 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 51.3 mttm 51.85 32.71 10.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.972 1.709 . . . . 0.0 113.837 -167.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 12.7 t60 -63.57 139.9 58.82 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.541 1.136 . . . . 0.0 111.288 167.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -135.39 176.52 8.6 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.706 1.603 . . . . 0.0 111.898 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 15.2 m -61.72 -19.29 62.24 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 23.4 t80 -128.11 2.43 5.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.417 1.487 . . . . 0.0 113.063 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.846 1.658 . . . . 0.0 111.458 -173.06 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.544 0.212 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -157.74 -51.06 0.07 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.302 1.441 . . . . 0.0 111.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 76.42 173.51 0.23 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.562 2.345 . . . . 0.0 113.163 169.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.8 mt -54.46 157.7 2.75 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 167.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -88.18 158.32 18.56 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.788 1.235 . . . . 0.0 110.794 167.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.79 -31.88 72.12 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.636 -0.665 . . . . 0.0 112.325 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.54 -29.24 62.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.465 0.706 . . . . 0.0 112.817 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -73.95 -43.01 59.65 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.327 0.967 . . . . 0.0 111.012 170.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.4 mt -54.73 -39.51 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 0.0 111.135 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.04 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -79.61 -45.21 19.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.743 0.817 . . . . 0.0 111.289 175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.56 -28.41 67.77 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.528 -0.733 . . . . 0.0 112.746 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.96 -38.58 76.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.303 1.041 . . . . 0.0 112.482 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.74 -42.43 86.25 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.568 0.747 . . . . 0.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -43.62 73.24 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.405 -0.809 . . . . 0.0 112.204 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.68 -35.16 80.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.577 0.751 . . . . 0.0 112.62 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -62.73 -31.66 72.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.81 -25.53 62.91 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.856 -1.153 . . . . 0.0 112.466 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 -13.63 31.47 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.209 1.404 . . . . 0.0 113.204 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -75.61 77.43 2.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.537 1.535 . . . . 0.0 110.477 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -72.42 -17.15 61.82 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.473 1.509 . . . . 0.0 114.223 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.03 -20.87 19.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.055 1.342 . . . . 0.0 112.915 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.91 13.26 79.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.282 1.42 . . . . 0.0 114.536 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -98.18 -2.96 38.62 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.376 1.47 . . . . 0.0 113.809 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.04 19.15 52.06 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.527 1.061 . . . . 0.0 114.279 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.2 p -124.19 162.11 24.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.003 1.721 . . . . 0.0 111.766 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 pt -125.71 161.34 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.824 1.249 . . . . 0.0 110.848 164.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -69.21 147.78 50.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 p -57.86 -36.56 72.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.122 0.969 . . . . 0.0 112.757 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.7 -23.77 65.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.505 1.122 . . . . 0.0 113.437 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.78 -9.47 59.33 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.606 1.562 . . . . 0.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.79 -45.38 92.49 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 120.931 -1.105 . . . . 0.0 112.039 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.22 66.11 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.358 0.504 . . . . 0.0 112.398 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -75.04 -42.6 56.82 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.584 1.153 . . . . 0.0 111.489 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.62 -29.61 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.99 1.268 . . . . 0.0 111.916 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -57.56 -53.49 57.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.749 0.82 . . . . 0.0 110.838 166.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -60.1 -40.99 91.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.803 1.241 . . . . 0.0 112.323 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -62.97 -36.23 82.79 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.613 0.765 . . . . 0.0 113.031 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.46 -4.01 56.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.296 1.438 . . . . 0.0 113.726 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.69 14.21 80.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.602 1.096 . . . . 0.0 114.379 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.39 147.32 32.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.735 1.214 . . . . 0.0 110.37 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.96 64.29 14.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.073 0.949 . . . . 0.0 112.747 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.86 157.44 55.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.538 2.825 . . . . 0.0 110.792 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -68.48 149.19 49.57 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 0.0 109.606 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.31 -42.87 92.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.941 0.896 . . . . 0.0 112.602 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.09 73.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -71.72 -42.25 67.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.615 0.766 . . . . 0.0 110.88 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.22 -40.51 90.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.447 1.099 . . . . 0.0 111.439 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -62.68 -38.29 89.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.531 0.733 . . . . 0.0 111.466 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.02 -29.82 69.75 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.6 mtt -67.81 -41.39 83.16 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.183 0.901 . . . . 0.0 110.514 172.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.4 -48.18 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.773 0.829 . . . . 0.0 110.084 173.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -60.03 -34.4 73.33 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -67.32 -44.39 79.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.832 0.853 . . . . 0.0 111.607 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.86 -31.06 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -103.31 31.16 4.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.766 1.626 . . . . 0.0 112.512 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.02 -26.23 64.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.381 1.073 . . . . 0.0 113.821 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.55 -8.22 58.99 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.284 1.434 . . . . 0.0 113.52 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.54 54.64 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.697 1.141 . . . . 0.0 115.704 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.24 -26.07 63.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.638 1.219 . . . . 0.0 113.727 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 13.23 76.81 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.154 1.359 . . . . 0.0 113.359 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -138.41 155.84 48.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.576 1.551 . . . . 0.0 111.877 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.2 mt -120.16 128.14 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.02 1.728 . . . . 0.0 108.679 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -89.66 151.0 22.1 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.856 1.262 . . . . 0.0 111.138 173.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.76 -44.24 99.14 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.1 -35.63 97.69 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.792 2.328 . . . . 0.0 113.791 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.53 -37.06 65.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.252 1.021 . . . . 0.0 112.316 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -62.6 -40.45 96.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.904 0.881 . . . . 0.0 111.914 172.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.44 -29.79 71.02 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.4 m -65.44 -31.86 73.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 0.0 112.437 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.6 mtt -64.98 -35.07 80.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.46 0.573 . . . . 0.0 112.004 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.5 mmm -81.52 -37.68 27.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 112.149 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.58 49.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.964 1.706 . . . . 0.0 114.294 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -60.25 -18.44 48.92 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.072 1.749 . . . . 0.0 114.389 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -85.0 -23.97 28.45 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.645 1.178 . . . . 0.0 114.148 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 mmt -87.02 -12.06 48.54 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -150.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 158.33 34.37 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.262 1.392 . . . . 0.0 112.943 174.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.17 -33.51 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -89.13 166.62 13.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.311 1.044 . . . . 0.0 113.767 -164.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -79.04 161.66 26.43 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.221 1.808 . . . . 0.0 112.238 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.2 p -81.32 142.29 33.23 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.091 -1.005 . . . . 0.0 113.71 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.35 -37.72 88.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.083 0.953 . . . . 0.0 111.398 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.92 -35.79 75.64 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.385 1.074 . . . . 0.0 112.584 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -62.69 -34.83 77.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.412 0.685 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 mt -81.27 -39.32 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.2 -43.29 98.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.822 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.35 -35.63 81.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.084 0.856 . . . . 0.0 111.85 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.32 90.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 0.0 111.556 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.99 -37.33 67.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.799 -0.563 . . . . 0.0 112.38 170.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -63.86 -38.36 90.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.582 -0.723 . . . . 0.0 112.346 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.49 -20.42 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 119.795 1.179 . . . . 0.0 113.706 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -86.87 -8.79 56.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -86.19 108.14 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -82.03 -8.11 59.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 113.73 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.39 -26.95 6.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.909 1.284 . . . . 0.0 114.161 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.3 48.18 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.35 1.452 . . . . 0.0 113.326 -173.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.22 -18.17 60.18 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.25 1.42 . . . . 0.0 114.405 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.58 12.17 65.04 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.974 1.273 . . . . 0.0 113.439 -172.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.89 152.43 46.42 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.842 1.657 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.1 pt -131.11 153.96 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.055 1.742 . . . . 0.0 108.911 170.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.3 p -77.77 150.93 34.27 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.456 -1.403 . . . . 0.0 112.053 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.96 -32.51 72.96 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.143 -0.973 . . . . 0.0 111.964 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.29 82.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.306 1.043 . . . . 0.0 111.773 172.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.86 -49.17 77.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.699 0.8 . . . . 0.0 110.845 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -46.52 87.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.881 0.764 . . . . 0.0 112.222 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -60.28 -42.97 96.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.539 0.735 . . . . 0.0 111.021 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.6 -51.65 26.84 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.35 -31.51 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.488 1.04 . . . . 0.0 111.655 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.4 mmt -81.54 -18.41 45.08 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.1 p -95.57 -24.11 16.76 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.759 1.163 . . . . 0.0 112.264 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -85.49 -33.22 21.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.451 1.101 . . . . 0.0 113.522 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.36 162.57 21.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.614 1.566 . . . . 0.0 113.127 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.11 -134.06 13.81 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.357 1.456 . . . . 0.0 112.308 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.31 1.2 57.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.705 1.202 . . . . 0.0 113.246 174.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.6 mttt 59.05 58.45 3.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.283 1.433 . . . . 0.0 112.952 161.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.24 164.84 4.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.501 1.521 . . . . 0.0 114.475 -175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 m -62.84 153.95 31.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.189 1.796 . . . . 0.0 112.71 -168.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.93 -32.51 70.85 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.351 1.06 . . . . 0.0 112.516 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.9 -32.75 69.79 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.359 1.063 . . . . 0.0 112.694 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.59 -48.99 28.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.128 0.971 . . . . 0.0 110.205 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.52 -31.06 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.478 1.035 . . . . 0.0 112.909 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.49 -42.74 99.7 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 120.472 1.487 . . . . 0.0 111.295 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -65.3 -39.04 91.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.72 0.808 . . . . 0.0 112.016 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.9 ttm -60.66 -37.41 81.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.82 0.848 . . . . 0.0 112.046 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -75.03 -42.83 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.778 -0.576 . . . . 0.0 111.787 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -56.33 -40.39 74.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.54 1.136 . . . . 0.0 113.36 -171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.82 -14.98 61.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.21 -43.98 5.82 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.801 1.241 . . . . 0.0 112.884 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.81 -28.52 68.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.492 1.517 . . . . 0.0 113.821 -172.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.6 pt -65.42 -15.07 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.189 1.395 . . . . 0.0 114.221 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -121.79 -36.6 3.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.184 1.794 . . . . 0.0 112.901 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -15.37 56.47 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.337 1.446 . . . . 0.0 115.745 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 t70 57.81 33.4 23.18 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.517 1.527 . . . . 0.0 113.69 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.71 -11.67 49.92 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.593 1.568 . . . . 0.0 114.505 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -107.93 118.14 35.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.193 1.497 . . . . 0.0 109.015 169.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.69 114.61 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.498 1.119 . . . . 0.0 109.377 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.16 75.45 1.27 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.945 1.698 . . . . 0.0 109.859 165.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -58.71 -31.42 68.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -170.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.4 -42.62 99.02 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.355 0.662 . . . . 0.0 111.213 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.79 -32.88 60.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 111.808 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -61.37 -39.11 89.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.62 0.768 . . . . 0.0 112.289 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.54 -38.47 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 118.381 -0.818 . . . . 0.0 111.33 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -67.72 -29.35 68.58 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.251 0.932 . . . . 0.0 112.525 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.6 mtm -81.0 -34.17 33.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.311 1.044 . . . . 0.0 111.748 174.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.5 ttp -71.44 -44.19 65.29 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.542 1.137 . . . . 0.0 112.674 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.0 p -78.73 -33.76 46.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.749 0.82 . . . . 0.0 111.619 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 76.82 158.54 0.2 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.156 2.982 . . . . 0.0 113.534 174.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.815 1.646 . . . . 0.0 111.321 -174.839 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 CA-C-O 119.324 -0.709 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -56.27 150.34 50.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 124.82 3.68 . . . . 0.0 113.271 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -84.57 148.99 24.21 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.122 0.868 . . . . 0.0 113.198 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -66.24 -42.07 89.12 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.748 -0.854 . . . . 0.0 110.577 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.43 -38.32 86.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.679 1.592 . . . . 0.0 112.066 170.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.86 -46.89 67.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.941 0.896 . . . . 0.0 111.632 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -69.51 -32.45 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.0 0.818 . . . . 0.0 111.962 175.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.9 m -62.4 -45.99 90.61 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.637 -0.665 . . . . 0.0 111.58 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.71 78.05 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.986 0.514 . . . . 0.0 111.317 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.17 -37.15 84.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 49.4 t -65.27 -42.19 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 119.358 0.981 . . . . 0.0 110.987 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 58.8 mt -70.77 -40.89 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.549 0.613 . . . . 0.0 111.319 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.61 -39.03 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.9 0.88 . . . . 0.0 111.637 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -60.11 -49.72 76.53 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.956 0.902 . . . . 0.0 111.433 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.41 99.12 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.671 0.789 . . . . 0.0 111.988 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.55 -42.94 73.93 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.46 0.704 . . . . 0.0 112.668 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.76 -39.71 94.99 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.285 -0.885 . . . . 0.0 112.163 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.31 -41.82 93.65 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.448 0.699 . . . . 0.0 112.17 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -56.88 -45.04 82.79 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.781 0.833 . . . . 0.0 112.26 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.3 -41.5 89.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.082 0.855 . . . . 0.0 112.901 174.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.55 -40.25 96.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.376 -0.827 . . . . 0.0 112.085 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -76.04 -11.11 59.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.885 1.274 . . . . 0.0 113.19 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -84.29 -43.43 14.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.177 0.991 . . . . 0.0 111.705 166.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 62.3 m -84.42 -46.41 11.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.1 mm? 60.45 -73.57 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.48 2.712 . . . . 0.0 112.324 -172.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 61.4 mttp -75.85 38.91 0.17 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.471 2.308 . . . . 0.0 112.653 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -57.72 -29.1 64.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.694 1.598 . . . . 0.0 114.979 -156.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -70.17 -18.67 63.21 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 40.5 m -131.97 10.42 4.61 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.77 1.628 . . . . 0.0 113.007 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 58.2 t80 -71.9 -23.79 61.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.021 1.328 . . . . 0.0 113.724 -172.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.838 2.055 . . . . 0.0 111.3 178.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.38 11.15 35.83 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.172 1.789 . . . . 0.0 113.341 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -153.62 156.01 37.14 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.769 2.028 . . . . 0.0 109.234 -170.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.4 mt -65.17 153.67 40.24 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.723 -0.61 . . . . 0.0 112.412 167.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.17 165.94 20.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.344 2.258 . . . . 0.0 110.474 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.6 -37.94 59.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.853 1.261 . . . . 0.0 113.373 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -21.38 61.93 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -86.37 -43.52 12.79 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.406 -0.809 . . . . 0.0 110.425 169.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.2 mt -56.24 -36.46 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.427 1.491 . . . . 0.0 111.706 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.32 67.3 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.87 -43.04 15.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.816 1.246 . . . . 0.0 111.38 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.0 -30.18 70.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.798 0.839 . . . . 0.0 112.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.3 tppt? -54.72 -42.63 71.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.338 1.055 . . . . 0.0 112.635 169.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.69 -39.66 94.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.762 0.825 . . . . 0.0 112.06 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -44.49 55.7 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.838 -0.539 . . . . 0.0 111.978 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -40.5 93.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.62 0.768 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -64.57 -22.29 66.93 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -20.3 45.22 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 112.913 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.12 -13.03 23.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.535 1.534 . . . . 0.0 112.83 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.65 60.98 0.94 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.759 1.624 . . . . 0.0 110.704 164.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -71.08 -21.13 62.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.28 1.432 . . . . 0.0 113.519 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -82.16 -19.45 39.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.889 1.276 . . . . 0.0 112.978 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.39 7.73 87.21 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.395 1.474 . . . . 0.0 115.039 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -91.95 -12.85 32.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.226 1.41 . . . . 0.0 113.954 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.62 9.09 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.324 1.44 . . . . 0.0 114.522 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.24 148.51 52.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.283 1.433 . . . . 0.0 112.119 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 pt -110.12 165.21 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.991 1.317 . . . . 0.0 110.235 166.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -78.54 161.8 26.77 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.496 -0.753 . . . . 0.0 111.61 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -63.59 -27.36 69.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.2 166.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.15 -43.24 71.28 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.987 1.315 . . . . 0.0 112.193 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.62 -5.66 59.25 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 tp -50.22 -54.19 22.82 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.105 -0.997 . . . . 0.0 112.393 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.75 -27.24 68.03 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.973 -0.348 . . . . 0.0 112.336 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -71.34 -38.46 71.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.086 1.355 . . . . 0.0 111.289 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.39 -45.14 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.147 1.34 . . . . 0.0 110.395 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mtp -67.89 -38.0 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.433 0.693 . . . . 0.0 111.813 -176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -69.67 -34.01 73.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.015 0.926 . . . . 0.0 112.516 172.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.4 m -68.98 -24.4 64.23 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.92 -2.69 44.86 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.546 1.539 . . . . 0.0 113.114 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.93 4.06 75.74 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 125.068 1.318 . . . . 0.0 115.458 171.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -98.19 169.3 9.68 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.672 1.236 . . . . 0.0 111.066 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -143.47 83.0 11.1 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.849 0.86 . . . . 0.0 111.69 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.11 155.99 68.3 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.985 2.457 . . . . 0.0 110.324 168.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -71.72 164.96 24.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.369 0.668 . . . . 0.0 111.731 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.27 -36.51 71.1 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.758 0.823 . . . . 0.0 111.418 169.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.99 79.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.306 1.042 . . . . 0.0 112.176 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.77 -45.38 90.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.62 0.645 . . . . 0.0 111.12 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 mt -59.92 -49.24 78.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.049 0.54 . . . . 0.0 111.271 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.37 -42.43 95.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.009 0.523 . . . . 0.0 111.919 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.72 -36.17 80.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.42 -33.7 69.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.172 0.896 . . . . 0.0 111.103 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.21 -54.83 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 108.88 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.8 -27.28 50.32 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.19 -28.79 64.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.346 1.059 . . . . 0.0 113.069 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.37 -27.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -96.41 20.13 11.02 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.716 1.606 . . . . 0.0 112.864 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -24.59 66.36 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.13 0.972 . . . . 0.0 113.447 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -84.52 -7.82 59.14 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.991 1.317 . . . . 0.0 113.503 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 26.92 46.28 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.012 1.291 . . . . 0.0 114.928 171.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -73.15 -31.57 64.34 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.6 -0.23 86.04 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.705 1.621 . . . . 0.0 114.185 -173.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -135.2 158.94 43.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.739 2.016 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.12 128.32 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.476 1.911 . . . . 0.0 108.218 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.96 158.62 17.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.768 1.227 . . . . 0.0 111.005 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 29.4 t80 -53.84 -43.17 95.97 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -173.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.86 -34.34 82.35 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.962 2.441 . . . . 0.0 113.613 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.97 -42.28 69.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.272 1.029 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.95 -41.03 97.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.284 1.434 . . . . 0.0 111.647 172.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.08 -32.03 72.06 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.374 -0.829 . . . . 0.0 112.563 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -64.78 -47.73 77.08 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.67 1.123 . . . . 0.0 111.006 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.5 ptp -65.57 -26.16 67.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.3 mmm -76.13 -45.7 32.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.39 1.076 . . . . 0.0 111.966 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.48 96.9 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.99 1.316 . . . . 0.0 112.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.78 -23.08 65.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.369 1.068 . . . . 0.0 113.398 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.26 -16.71 42.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.493 1.117 . . . . 0.0 113.596 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 mmt -76.98 158.03 30.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.783 1.233 . . . . 0.0 112.553 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -130.62 144.82 51.68 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.094 1.757 . . . . 0.0 111.805 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -85.24 -17.99 35.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.638 1.175 . . . . 0.0 113.355 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -172.05 172.14 4.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 111.535 -158.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -76.1 156.42 33.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.617 1.567 . . . . 0.0 112.567 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 m -75.59 143.63 42.24 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.107 -0.996 . . . . 0.0 113.575 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -58.19 -28.64 64.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.058 -1.026 . . . . 0.0 111.749 175.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -33.63 76.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.916 1.286 . . . . 0.0 112.834 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.73 -42.02 74.53 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.192 -0.942 . . . . 0.0 110.26 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.76 -37.84 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.749 1.22 . . . . 0.0 110.429 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.61 -50.3 45.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.462 1.105 . . . . 0.0 112.971 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.3 -30.56 70.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.387 1.075 . . . . 0.0 112.284 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.91 67.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.0 -29.0 55.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.847 -1.158 . . . . 0.0 113.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.14 -24.9 67.86 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 m -78.91 -31.78 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.268 0.94 . . . . 0.0 113.359 173.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -81.24 -21.79 39.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.994 0.815 . . . . 0.0 112.597 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -84.55 95.73 8.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.818 1.247 . . . . 0.0 110.147 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.74 -12.11 60.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -100.81 -24.67 14.33 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.118 1.367 . . . . 0.0 113.133 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.64 84.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.939 1.256 . . . . 0.0 113.41 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -72.29 -18.5 61.79 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.872 1.669 . . . . 0.0 115.171 -169.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.49 9.83 49.28 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.53 1.062 . . . . 0.0 113.955 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -137.61 150.49 47.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.576 1.55 . . . . 0.0 113.397 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.7 161.24 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.362 1.465 . . . . 0.0 110.024 171.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.9 t -73.97 144.37 45.25 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.487 -1.383 . . . . 0.0 111.215 168.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.57 63.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.311 -0.868 . . . . 0.0 112.533 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.77 65.46 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.081 -1.012 . . . . 0.0 113.189 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.79 -35.08 74.57 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.585 -0.697 . . . . 0.0 111.178 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.76 -44.21 97.02 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.893 0.77 . . . . 0.0 111.088 170.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -65.41 -29.53 70.23 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -76.11 -47.85 22.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.101 -1.0 . . . . 0.0 112.28 173.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.59 -52.67 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.81 1.244 . . . . 0.0 111.92 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -74.27 -14.42 60.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -162.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -119.7 31.73 6.41 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.171 1.788 . . . . 0.0 111.931 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -151.72 -45.06 0.11 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.196 0.999 . . . . 0.0 113.227 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.9 mt -89.97 144.5 25.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.893 1.277 . . . . 0.0 111.058 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.35 -154.18 48.07 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.334 0.968 . . . . 0.0 113.513 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -76.86 134.94 38.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.306 0.642 . . . . 0.0 109.755 162.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -93.57 158.19 15.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.546 1.139 . . . . 0.0 112.41 -172.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -107.12 179.12 4.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.761 1.224 . . . . 0.0 111.827 163.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.0 p -78.28 163.96 25.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.69 -29.79 68.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.254 1.422 . . . . 0.0 112.542 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.91 -47.45 37.74 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.363 1.065 . . . . 0.0 111.19 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -74.82 -34.46 62.37 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.663 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.28 -32.62 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 120.6 1.546 . . . . 0.0 111.535 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.42 -41.73 55.26 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.519 -0.738 . . . . 0.0 111.61 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.85 -39.51 81.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 111.423 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.72 -41.13 76.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.03 0.932 . . . . 0.0 111.452 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.3 mt -79.24 -34.09 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.056 0.942 . . . . 0.0 111.636 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.261 1.025 . . . . 0.0 110.994 173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.84 -29.34 40.11 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.436 1.094 . . . . 0.0 113.065 171.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.23 -40.76 23.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.577 1.535 . . . . 0.0 113.357 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.08 -23.05 63.97 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.757 -170.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.03 -7.17 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.45 1.1 . . . . 0.0 113.679 174.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -113.09 -44.65 3.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.65 1.58 . . . . 0.0 112.155 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -119.82 103.08 0.93 Allowed Glycine 0 C--N 1.343 0.949 0 C-N-CA 125.235 1.398 . . . . 0.0 111.852 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.22 111.15 4.96 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.887 1.275 . . . . 0.0 111.774 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.93 -56.99 2.68 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.81 1.671 . . . . 0.0 113.019 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -91.92 120.78 32.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.039 1.335 . . . . 0.0 108.607 170.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.6 t -79.85 122.16 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.756 1.622 . . . . 0.0 109.967 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -79.0 84.35 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.083 0.953 . . . . 0.0 109.17 168.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -66.78 -21.4 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -57.86 -40.59 80.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.213 1.005 . . . . 0.0 111.226 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.58 -36.67 51.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.318 1.047 . . . . 0.0 111.85 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -66.02 -32.3 73.69 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.96 -50.95 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.515 1.126 . . . . 0.0 110.265 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -70.07 -41.71 73.76 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.343 0.657 . . . . 0.0 111.063 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttm -52.16 -43.02 63.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.87 1.268 . . . . 0.0 112.197 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.6 mtm -73.37 -45.43 55.01 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.5 t -94.94 -24.4 16.98 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -163.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.77 144.48 55.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -173.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt . . . . . 0 C--O 1.257 1.47 0 C-N-CA 125.48 1.512 . . . . 0.0 112.713 177.89 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 CA-C-O 119.273 -0.737 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.7 -24.84 9.87 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.908 3.072 . . . . 0.0 113.682 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 80.16 -8.4 52.17 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.937 1.256 . . . . 0.0 114.715 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 6.1 p -62.35 -57.12 12.49 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.964 1.705 . . . . 0.0 110.942 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -58.97 -31.62 68.91 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.338 1.855 . . . . 0.0 112.61 174.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.4 -49.58 53.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.868 0.758 . . . . 0.0 111.728 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.2 m -72.96 -28.31 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.117 0.871 . . . . 0.0 112.613 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 62.9 m -63.82 -43.53 95.97 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.885 0.874 . . . . 0.0 111.935 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.24 75.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.02 0.528 . . . . 0.0 111.885 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 44.6 mtt -57.98 -48.87 78.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.993 0.917 . . . . 0.0 112.25 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.7 t -66.34 -37.15 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.834 0.854 . . . . 0.0 110.968 -172.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 77.1 mt -69.28 -50.7 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.279 0.49 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -69.5 -24.07 63.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.01 0.823 . . . . 0.0 112.728 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -75.9 -31.39 59.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.629 1.104 . . . . 0.0 112.172 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -67.97 -43.84 78.08 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.025 -1.047 . . . . 0.0 110.764 167.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 45.3 t80 -63.64 -42.31 98.15 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -55.96 -45.96 78.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.397 1.079 . . . . 0.0 112.339 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -70.54 -36.07 73.49 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.734 0.814 . . . . 0.0 112.521 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.62 -42.62 97.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.542 -0.724 . . . . 0.0 111.998 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -58.72 -36.08 73.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 3.5 tm? -60.72 -49.08 78.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.54 0.609 . . . . 0.0 110.86 174.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -72.69 -22.95 60.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.851 0.861 . . . . 0.0 113.12 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 75.8 ttt-85 -79.54 -48.05 14.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 112.31 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 59.1 m -106.44 -26.81 11.28 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -168.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? 65.97 -60.54 0.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 129.518 3.127 . . . . 0.0 113.837 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 94.2 mttt 67.6 16.31 9.86 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.259 2.224 . . . . 0.0 113.853 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -76.7 166.71 23.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.293 1.437 . . . . 0.0 112.501 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -76.54 143.38 40.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.301 -0.874 . . . . 0.0 112.005 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 48.9 m -137.13 14.87 3.04 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.454 1.102 . . . . 0.0 113.493 -175.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.16 -39.21 92.64 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.86 -1.15 . . . . 0.0 113.441 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.707 1.603 . . . . 0.0 112.144 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.694 0.283 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -94.1 -3.89 50.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.662 1.585 . . . . 0.0 112.914 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -161.39 155.36 22.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 110.149 -162.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.07 145.77 52.27 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.816 1.246 . . . . 0.0 113.683 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -110.57 162.85 14.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.03 1.332 . . . . 0.0 111.982 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.47 -34.07 74.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.234 1.013 . . . . 0.0 112.894 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.52 -25.45 50.27 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.9 -42.35 66.84 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.947 0.794 . . . . 0.0 110.93 171.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.78 -36.04 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.171 0.989 . . . . 0.0 111.811 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.44 75.64 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.82 0.848 . . . . 0.0 113.07 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.87 -38.26 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.279 1.032 . . . . 0.0 112.04 175.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.87 -27.8 69.11 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.605 -0.684 . . . . 0.0 112.014 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -64.67 -39.63 94.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.928 0.891 . . . . 0.0 112.692 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.01 -42.38 80.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.439 0.696 . . . . 0.0 111.423 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.58 96.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.58 -38.88 91.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.389 1.075 . . . . 0.0 111.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -62.52 -34.97 77.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.223 1.009 . . . . 0.0 113.43 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.97 -18.54 60.86 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.924 -1.11 . . . . 0.0 113.623 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.7 m-85 -98.3 -10.77 23.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.216 1.406 . . . . 0.0 113.469 172.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.04 64.92 5.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.747 1.619 . . . . 0.0 109.946 161.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.97 -17.37 62.66 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -87.13 -18.59 30.1 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.143 1.377 . . . . 0.0 113.083 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 17.85 71.41 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.01 1.29 . . . . 0.0 114.461 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.39 -8.59 50.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.076 1.35 . . . . 0.0 114.061 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 17.11 35.1 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.588 1.566 . . . . 0.0 114.83 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.8 p -136.56 149.62 48.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.775 1.63 . . . . 0.0 110.719 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -99.66 159.06 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.372 0.669 . . . . 0.0 110.252 167.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.16 148.48 37.75 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 p -57.61 -33.75 68.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.15 0.98 . . . . 0.0 111.62 170.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -63.46 -28.94 70.31 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.087 1.355 . . . . 0.0 113.448 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -89.93 -17.1 28.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.052 0.941 . . . . 0.0 112.993 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -52.4 -46.48 66.29 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.083 1.311 . . . . 0.0 111.777 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.92 -8.43 34.79 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.328 -1.262 . . . . 0.0 113.967 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -99.61 -42.13 7.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.202 2.201 . . . . 0.0 111.869 168.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 19' ' ' PHE . 3.4 t -61.07 -40.48 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 119.828 1.195 . . . . 0.0 110.826 -178.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.9 mmm -60.41 -38.98 85.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.98 0.512 . . . . 0.0 111.648 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.73 -37.07 73.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.517 1.127 . . . . 0.0 112.368 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -24.96 67.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.782 0.833 . . . . 0.0 112.401 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.2 mt -98.06 9.4 42.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.384 1.874 . . . . 0.0 113.616 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.24 12.36 76.2 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.485 1.041 . . . . 0.0 114.513 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -82.04 146.8 29.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.424 1.112 . . . . 0.0 110.316 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -122.58 44.7 0.91 Allowed Pre-proline 0 CA--C 1.557 1.243 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -67.09 147.7 79.99 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.051 1.834 . . . . 0.0 111.185 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 m -74.23 158.57 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.935 0.894 . . . . 0.0 109.845 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.03 -33.57 67.33 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.333 1.053 . . . . 0.0 112.929 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.43 79.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.773 0.829 . . . . 0.0 112.958 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.97 -43.47 68.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.386 0.674 . . . . 0.0 110.635 173.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.22 -47.71 82.64 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.204 0.602 . . . . 0.0 110.865 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.95 -42.3 98.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.591 0.632 . . . . 0.0 111.91 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.75 -31.67 72.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.662 0.664 . . . . 0.0 112.625 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -78.36 -24.28 46.52 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 111.62 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.06 -49.85 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.62 -24.33 55.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.15 0.98 . . . . 0.0 113.175 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.54 -27.15 64.91 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.968 1.307 . . . . 0.0 112.847 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.64 -30.08 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -169.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.55 41.04 0.99 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 112.529 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.23 67.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.952 1.301 . . . . 0.0 113.917 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.28 -16.33 56.58 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.428 . . . . 0.0 112.871 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.61 17.33 80.17 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.696 1.141 . . . . 0.0 113.282 -175.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.91 -26.87 63.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 113.55 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.82 13.5 64.62 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.459 1.504 . . . . 0.0 114.179 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.8 p -135.35 157.68 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.118 1.367 . . . . 0.0 112.835 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.76 129.71 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.541 1.937 . . . . 0.0 109.108 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.79 155.88 18.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.144 1.378 . . . . 0.0 111.491 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.48 -50.34 80.66 Favored Pre-proline 0 CA--C 1.549 0.926 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.57 -24.65 41.7 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.277 1.985 . . . . 0.0 113.474 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -69.61 -42.38 74.45 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.198 0.908 . . . . 0.0 110.458 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.24 -40.57 96.3 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.053 1.341 . . . . 0.0 112.598 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.24 -29.01 69.17 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.927 -1.108 . . . . 0.0 112.845 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.0 m -62.34 -38.66 90.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.959 0.904 . . . . 0.0 110.981 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.1 mtt -62.18 -50.55 71.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.446 0.699 . . . . 0.0 111.056 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.4 mmm -58.86 -48.05 82.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.524 1.129 . . . . 0.0 111.94 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.76 79.87 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.483 1.113 . . . . 0.0 113.1 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -79.79 -35.08 39.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.077 1.351 . . . . 0.0 112.99 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -79.17 -19.5 50.77 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -176.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.5 mmt -53.77 127.63 26.56 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.257 1.023 . . . . 0.0 112.001 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.63 142.75 46.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.068 1.347 . . . . 0.0 113.347 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -103.45 -10.34 18.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.401 1.48 . . . . 0.0 113.759 174.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -158.8 172.53 18.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.187 1.795 . . . . 0.0 111.335 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.57 151.65 21.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.024 1.73 . . . . 0.0 113.283 -172.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.4 t -75.78 161.57 28.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.513 1.125 . . . . 0.0 112.991 175.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.12 -43.9 91.96 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 112.749 -175.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 -26.44 57.31 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -72.62 -37.8 67.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.377 1.471 . . . . 0.0 110.945 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.13 -41.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.828 1.251 . . . . 0.0 110.95 166.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -62.49 -37.67 86.9 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.02 -38.37 76.08 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.97 0.805 . . . . 0.0 112.306 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.23 91.31 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.262 -0.899 . . . . 0.0 112.707 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -68.71 -37.54 79.57 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.692 -0.63 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -66.78 -33.95 76.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.858 0.754 . . . . 0.0 112.554 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.11 -34.8 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.052 0.941 . . . . 0.0 111.911 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -89.66 -6.62 55.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -68.16 131.14 44.87 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.636 173.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.26 -13.14 60.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -148.6 -17.05 0.32 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.94 45.47 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.964 1.269 . . . . 0.0 112.411 -167.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.53 -17.89 53.06 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.26 1.424 . . . . 0.0 114.259 -172.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.95 11.67 56.26 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.474 1.512 . . . . 0.0 113.863 -174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -138.07 151.21 47.61 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.149 1.379 . . . . 0.0 113.682 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.0 pt -132.16 169.25 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 109.158 167.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -89.44 152.23 21.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.185 1.357 . . . . 0.0 112.256 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.47 71.61 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.358 -0.839 . . . . 0.0 112.018 173.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.3 81.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.916 0.886 . . . . 0.0 111.731 171.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.44 -45.32 91.45 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.138 0.575 . . . . 0.0 111.045 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.2 -39.86 88.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.319 0.648 . . . . 0.0 112.284 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -68.97 -40.81 78.64 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.833 -0.542 . . . . 0.0 111.326 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -72.55 -44.62 61.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.783 0.833 . . . . 0.0 113.241 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.46 -32.57 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.9 -1.125 . . . . 0.0 111.928 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.93 -21.31 63.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 113.937 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.5 p -111.58 12.01 21.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.244 1.418 . . . . 0.0 112.954 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -132.99 -45.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.9 137.92 31.97 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.659 1.184 . . . . 0.0 111.094 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.09 -144.95 49.89 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.692 1.139 . . . . 0.0 113.198 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -59.26 139.51 56.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.554 0.742 . . . . 0.0 110.93 165.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -88.64 123.29 32.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.24 0.616 . . . . 0.0 110.969 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.9 142.99 41.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.196 0.999 . . . . 0.0 110.827 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.94 150.97 47.85 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.915 1.286 . . . . 0.0 111.205 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -56.81 -43.84 81.39 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.958 1.303 . . . . 0.0 112.912 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.29 -33.25 69.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.342 0.519 . . . . 0.0 112.152 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -72.3 -47.86 46.67 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.877 0.871 . . . . 0.0 110.522 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.0 -33.37 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.964 0.802 . . . . 0.0 112.042 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.37 -38.76 88.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.049 -1.032 . . . . 0.0 111.938 173.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -68.47 -38.1 80.75 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.953 0.901 . . . . 0.0 111.96 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttm -58.35 -44.48 88.79 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.886 0.875 . . . . 0.0 111.079 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.64 -39.68 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.057 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -58.33 -42.08 86.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.421 1.009 . . . . 0.0 112.002 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.95 -27.49 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.287 1.435 . . . . 0.0 112.71 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 -44.6 11.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.323 1.049 . . . . 0.0 113.232 177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.16 -18.92 63.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.237 1.415 . . . . 0.0 113.958 -170.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.95 -11.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -113.27 -37.49 4.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.58 1.552 . . . . 0.0 112.409 172.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -76.73 175.54 53.4 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.951 1.263 . . . . 0.0 114.067 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.5 -0.25 18.92 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.542 1.537 . . . . 0.0 113.665 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 121.16 -36.25 3.37 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 126.132 1.825 . . . . 0.0 110.603 -162.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.87 145.42 34.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.155 -0.615 . . . . 0.0 109.781 151.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.7 121.87 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.957 2.103 . . . . 0.0 108.534 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -76.75 96.6 4.27 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 163.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -71.07 -24.07 62.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.81 -45.17 93.85 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 110.472 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.25 -30.12 64.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.659 0.784 . . . . 0.0 112.532 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.35 -42.7 98.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.113 -0.992 . . . . 0.0 112.345 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.28 -44.26 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.729 0.695 . . . . 0.0 111.803 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.36 -22.91 61.84 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.188 0.904 . . . . 0.0 113.384 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.1 mtm -79.9 -16.0 56.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.387 0.994 . . . . 0.0 112.969 170.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.3 -46.5 8.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.079 1.352 . . . . 0.0 112.047 176.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p -76.28 -19.88 57.87 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.79 1.236 . . . . 0.0 113.604 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.36 164.76 32.27 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.816 1.647 . . . . 0.0 111.653 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.252 1.19 0 C-N-CA 125.598 1.559 . . . . 0.0 111.513 -177.616 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.4 -25.62 8.11 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.743 2.962 . . . . 0.0 113.61 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 79.33 -10.01 38.08 Favored Glycine 0 N--CA 1.475 1.285 0 C-N-CA 124.605 1.097 . . . . 0.0 115.03 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.9 p -57.41 -53.56 56.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.276 1.83 . . . . 0.0 111.222 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.41 -35.76 74.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 112.254 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.39 -46.13 64.62 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.235 -0.916 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.0 m -72.42 -27.82 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.447 0.567 . . . . 0.0 112.359 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -61.2 -41.89 97.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.379 0.991 . . . . 0.0 111.74 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.82 76.93 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.191 -0.943 . . . . 0.0 112.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.3 mtm -73.35 -37.56 66.05 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.371 0.668 . . . . 0.0 112.526 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.89 -46.38 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.716 1.206 . . . . 0.0 111.018 173.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.53 -49.73 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.969 -0.457 . . . . 0.0 111.197 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.72 -25.3 62.88 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.268 0.94 . . . . 0.0 112.958 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -63.63 -42.38 98.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.965 1.257 . . . . 0.0 111.188 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.01 88.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.562 0.745 . . . . 0.0 111.683 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 35.9 t80 -68.3 -37.67 80.87 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.747 -0.596 . . . . 0.0 112.514 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.4 -42.77 99.25 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.1 0.96 . . . . 0.0 111.461 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.0 -37.64 88.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.04 0.936 . . . . 0.0 112.038 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.91 -48.48 76.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.457 1.103 . . . . 0.0 112.57 172.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 40.4 mt -56.17 -38.99 71.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.013 1.325 . . . . 0.0 112.571 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.36 -30.14 62.28 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.038 0.935 . . . . 0.0 112.922 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -88.79 -36.57 16.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.055 0.942 . . . . 0.0 111.19 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.17 -41.26 96.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.271 1.428 . . . . 0.0 112.202 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 96.4 p -105.75 1.99 27.53 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 114.261 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 70.68 -28.58 0.18 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 130.02 3.328 . . . . 0.0 114.425 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 26.2 pttm -165.23 159.44 17.43 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.954 1.701 . . . . 0.0 112.903 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 23.8 m170 -109.77 33.54 4.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.615 1.566 . . . . 0.0 112.07 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . 60.7 -143.99 0.49 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.331 1.853 . . . . 0.0 110.664 -167.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 79.3 p -158.49 153.49 25.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.352 1.061 . . . . 0.0 112.931 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 32.7 p90 -171.19 -33.84 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.65 1.98 . . . . 0.0 112.302 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.255 1.359 0 C-N-CA 125.709 1.603 . . . . 0.0 111.83 170.619 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.74 160.33 33.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.821 1.648 . . . . 0.0 112.017 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.27 -35.95 76.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.587 0.755 . . . . 0.0 112.606 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.16 -24.97 63.25 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -80.11 -46.19 16.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.486 0.714 . . . . 0.0 109.901 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.14 -39.3 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.302 1.041 . . . . 0.0 111.658 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.137 0.975 . . . . 0.0 113.382 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -85.68 -41.61 15.01 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.892 0.877 . . . . 0.0 111.704 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.06 -28.51 68.89 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.04 -40.28 94.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.662 0.785 . . . . 0.0 111.357 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.02 57.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.136 0.574 . . . . 0.0 112.257 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.56 -38.23 86.72 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.443 0.697 . . . . 0.0 112.424 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -69.7 -14.96 63.06 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -30.7 46.34 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.367 0.985 . . . . 0.0 111.64 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -88.53 -10.07 50.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.429 1.492 . . . . 0.0 113.206 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.81 62.61 0.84 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.245 1.818 . . . . 0.0 111.028 170.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -67.37 -21.55 65.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.305 1.842 . . . . 0.0 113.963 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.62 -20.92 28.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.951 1.7 . . . . 0.0 112.738 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 7.53 86.27 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.025 1.297 . . . . 0.0 113.942 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -89.89 -9.46 48.9 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.746 1.618 . . . . 0.0 113.711 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 21.19 25.99 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.847 1.213 . . . . 0.0 113.635 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -128.56 154.84 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.852 1.661 . . . . 0.0 112.016 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.2 pt -117.45 164.58 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.801 1.241 . . . . 0.0 110.411 162.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -81.3 162.82 23.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 0.0 111.413 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.5 p -62.8 -27.71 69.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.252 1.021 . . . . 0.0 112.496 173.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -77.44 -28.52 52.52 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -19.87 56.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.79 -49.02 74.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.479 1.112 . . . . 0.0 111.55 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.45 -16.27 69.24 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.386 -0.675 . . . . 0.0 113.756 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -82.06 -55.99 4.22 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.056 0.942 . . . . 0.0 110.024 170.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.31 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mtp -66.72 -34.01 76.9 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.351 0.978 . . . . 0.0 112.762 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -81.25 -34.17 32.3 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.913 0.885 . . . . 0.0 112.466 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.3 m -66.72 -21.51 66.08 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.813 -1.179 . . . . 0.0 113.619 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 mt -77.84 1.52 20.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.022 1.329 . . . . 0.0 113.706 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.31 59.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.873 1.225 . . . . 0.0 115.267 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -86.16 173.91 9.49 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.453 1.127 . . . . 0.0 110.715 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -150.08 64.25 6.72 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.8 . . . . 0.0 112.973 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -67.33 158.39 57.22 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.32 2.68 . . . . 0.0 111.321 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -74.87 164.62 26.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.017 0.927 . . . . 0.0 111.469 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -55.77 -37.76 68.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 111.582 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.94 70.43 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.385 1.074 . . . . 0.0 112.482 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.05 -40.81 91.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.802 0.728 . . . . 0.0 111.666 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.23 -48.73 80.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.161 0.584 . . . . 0.0 111.102 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -64.23 -36.45 84.11 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.583 0.628 . . . . 0.0 112.221 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.83 -34.6 78.53 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.044 . . . . 0.0 113.23 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.9 mtm -74.06 -28.83 61.59 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.499 -0.751 . . . . 0.0 111.482 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.16 -46.49 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.867 0.758 . . . . 0.0 110.146 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -56.63 -28.58 60.83 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.464 1.029 . . . . 0.0 113.303 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.05 -13.81 60.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 114.01 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -125.82 -27.21 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -87.25 19.25 3.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.218 1.807 . . . . 0.0 112.39 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.03 64.67 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.787 1.235 . . . . 0.0 113.488 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.73 -16.83 56.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.072 1.349 . . . . 0.0 113.543 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 10.33 85.42 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.244 1.402 . . . . 0.0 115.211 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -77.02 -15.94 59.46 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.33 9.97 86.52 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.701 1.143 . . . . 0.0 114.444 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -136.41 159.23 42.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 112.284 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.54 122.07 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 126.1 1.76 . . . . 0.0 108.485 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.68 153.28 35.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.254 1.021 . . . . 0.0 111.336 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -47.4 -49.84 51.98 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 116.863 -1.541 . . . . 0.0 115.041 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.58 -26.83 69.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.597 2.198 . . . . 0.0 114.197 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -74.11 -38.87 63.71 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.008 1.276 . . . . 0.0 111.422 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.16 -40.94 99.01 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.304 1.042 . . . . 0.0 111.395 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.44 -25.3 66.67 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.218 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -60.81 -39.25 88.27 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 120.411 1.459 . . . . 0.0 111.445 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.21 -41.97 98.87 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.844 0.458 . . . . 0.0 111.156 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.42 -38.31 74.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 112.19 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 124.586 1.155 . . . . 0.0 111.988 175.163 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 -20.17 64.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.169 0.987 . . . . 0.0 112.963 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -87.71 -46.12 9.76 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.591 1.156 . . . . 0.0 110.742 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.92 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.649 0.78 . . . . 0.0 111.339 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.5 -38.23 83.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.776 0.831 . . . . 0.0 112.62 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.79 -33.86 75.64 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.471 0.708 . . . . 0.0 112.141 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.21 86.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.539 0.609 . . . . 0.0 110.764 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -64.54 -39.29 93.5 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.25 -36.31 83.24 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.584 0.629 . . . . 0.0 112.06 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.76 -37.76 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.391 1.076 . . . . 0.0 111.919 171.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -82.77 -23.12 34.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -78.49 73.21 5.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.559 1.143 . . . . 0.0 110.834 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.24 -18.68 65.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.072 1.349 . . . . 0.0 114.346 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -89.76 -20.03 24.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.901 1.28 . . . . 0.0 112.977 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.87 20.13 74.07 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.221 1.391 . . . . 0.0 114.363 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -78.01 -19.0 55.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.2 83.6 Favored Glycine 0 N--CA 1.477 1.415 0 C-N-CA 124.966 1.269 . . . . 0.0 113.971 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.93 151.53 42.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.439 1.895 . . . . 0.0 109.65 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.89 170.06 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.127 0.971 . . . . 0.0 110.253 170.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.9 p -85.08 158.21 20.49 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.9 -1.125 . . . . 0.0 112.724 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.22 74.9 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.489 -0.757 . . . . 0.0 111.66 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.92 97.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.553 0.741 . . . . 0.0 112.136 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.52 -48.2 78.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.606 0.762 . . . . 0.0 111.018 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.56 -43.47 98.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.973 0.806 . . . . 0.0 111.982 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -59.46 -47.52 85.18 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.677 0.671 . . . . 0.0 110.796 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -64.68 -49.06 72.43 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.107 0.867 . . . . 0.0 112.186 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -16.36 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.75 -35.6 12.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.075 1.35 . . . . 0.0 113.563 171.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.3 p -87.46 -25.6 23.66 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.612 1.096 . . . . 0.0 113.715 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -96.64 -52.99 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.118 0.967 . . . . 0.0 112.287 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.12 159.6 15.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.021 1.328 . . . . 0.0 112.811 -171.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.23 -145.04 35.51 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.363 0.983 . . . . 0.0 111.276 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.92 146.38 35.59 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 152.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -75.27 109.81 9.09 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.579 -1.326 . . . . 0.0 110.661 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 144.5 55.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.45 1.1 . . . . 0.0 111.113 -175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 146.63 50.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.589 1.156 . . . . 0.0 110.795 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.81 -32.61 72.92 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.8 -23.25 59.66 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.06 -45.95 14.55 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.664 1.186 . . . . 0.0 109.547 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.17 -51.5 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.434 1.094 . . . . 0.0 111.324 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.15 -26.81 68.34 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.43 0.692 . . . . 0.0 112.699 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.21 -42.18 46.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.625 0.77 . . . . 0.0 111.587 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.68 -39.43 91.4 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.621 0.769 . . . . 0.0 111.737 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.07 -56.92 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 110.001 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -49.38 -53.54 21.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.711 1.204 . . . . 0.0 113.263 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.67 -20.96 61.15 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -172.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.7 -39.8 10.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.064 0.946 . . . . 0.0 112.816 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 126.344 1.858 . . . . 0.0 112.891 -178.833 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.264 0 CA-C-O 119.866 -0.408 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.11 164.24 12.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.711 1.604 . . . . 0.0 109.982 167.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.25 111.98 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.714 1.605 . . . . 0.0 107.971 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.98 70.35 9.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.171 1.389 . . . . 0.0 110.811 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.77 -31.17 71.35 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.33 -34.84 74.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.002 1.321 . . . . 0.0 113.36 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.02 -28.66 16.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 0.0 112.091 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -33.3 72.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.59 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.04 -44.06 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.666 1.186 . . . . 0.0 111.713 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.96 -44.6 54.3 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.384 0.538 . . . . 0.0 110.583 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.88 -22.83 65.89 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -77.94 -23.26 48.62 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -168.287 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 26.4 mp0 . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.44 -44.34 71.49 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.527 -0.733 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.1 m -69.5 -33.68 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.254 0.934 . . . . 0.0 112.099 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.4 m -62.15 -44.3 96.92 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.684 0.675 . . . . 0.0 111.764 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.67 87.94 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.58 -0.7 . . . . 0.0 111.762 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.12 -31.24 72.35 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.1 t -64.18 -45.81 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.823 1.192 . . . . 0.0 111.283 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.38 -43.67 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.259 0.624 . . . . 0.0 111.124 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.053 0.941 . . . . 0.0 112.079 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -68.32 -42.76 78.91 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.443 -0.785 . . . . 0.0 111.806 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.84 98.17 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.091 0.956 . . . . 0.0 111.919 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.63 -38.67 84.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.26 -28.68 68.23 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.22 -0.925 . . . . 0.0 112.726 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -70.54 -41.84 71.97 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.396 0.998 . . . . 0.0 111.95 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 74.4 t60 -57.94 -45.64 86.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.964 0.906 . . . . 0.0 112.103 171.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 125.912 1.685 . . . . 0.0 112.441 172.595 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 p -103.83 161.79 13.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 110.806 165.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.15 -31.84 70.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.709 0.804 . . . . 0.0 113.096 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.5 -21.47 60.4 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -80.44 -43.75 20.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.336 0.971 . . . . 0.0 110.662 168.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -56.2 -37.7 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.211 1.004 . . . . 0.0 111.879 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -25.03 67.91 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.458 1.103 . . . . 0.0 113.46 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.83 -43.46 11.82 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.168 0.987 . . . . 0.0 111.54 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.68 -28.3 69.81 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.73 0.696 . . . . 0.0 112.705 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.89 -36.36 70.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.683 0.793 . . . . 0.0 112.675 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.69 -44.66 81.17 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.679 0.792 . . . . 0.0 111.847 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.81 80.45 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.817 0.447 . . . . 0.0 112.196 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.21 -39.13 82.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.148 0.979 . . . . 0.0 112.494 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -28.99 70.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.16 -22.81 62.94 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.859 -1.151 . . . . 0.0 112.817 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -92.79 -12.99 29.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.363 1.465 . . . . 0.0 113.066 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -81.25 74.51 8.25 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.292 1.437 . . . . 0.0 110.777 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.56 -19.02 65.22 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.12 -16.47 19.53 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.665 1.186 . . . . 0.0 113.287 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 23.83 65.59 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.894 1.235 . . . . 0.0 113.809 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.02 -7.0 40.98 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.335 1.454 . . . . 0.0 114.018 -171.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 9.35 70.24 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.245 1.402 . . . . 0.0 114.062 -175.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -122.08 159.53 26.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.161 1.784 . . . . 0.0 112.068 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -119.79 159.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.532 1.133 . . . . 0.0 110.143 163.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -73.49 148.56 43.03 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -58.8 -32.9 69.77 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.047 0.939 . . . . 0.0 113.051 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -67.97 -19.65 64.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -86.73 -8.91 56.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.303 1.041 . . . . 0.0 113.172 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.64 -49.19 78.52 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.929 0.786 . . . . 0.0 111.13 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.05 73.16 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 123.093 0.377 . . . . 0.0 112.627 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -72.06 -48.92 40.79 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.74 -33.33 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.804 1.184 . . . . 0.0 112.48 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.86 -47.44 82.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.233 0.924 . . . . 0.0 111.475 170.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -72.87 -29.18 62.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.24 1.016 . . . . 0.0 112.991 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.5 m -68.63 -27.81 66.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.951 0.9 . . . . 0.0 112.664 171.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.0 4.31 34.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.423 1.489 . . . . 0.0 112.672 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.85 10.31 65.0 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.491 1.519 . . . . 0.0 115.443 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -88.13 162.83 16.52 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.719 1.26 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -147.56 50.06 0.86 Allowed Pre-proline 0 CA--C 1.556 1.186 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -69.54 164.83 32.86 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.627 2.885 . . . . 0.0 111.782 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -76.17 154.62 35.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.231 0.612 . . . . 0.0 109.823 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.92 -32.28 71.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 0.0 112.328 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.89 79.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.207 1.003 . . . . 0.0 112.801 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.08 -41.15 67.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.657 0.783 . . . . 0.0 110.684 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.33 -50.12 74.22 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.748 0.819 . . . . 0.0 110.791 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -60.24 -39.65 87.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.772 0.829 . . . . 0.0 112.49 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.24 -34.45 78.14 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -78.17 -38.99 42.26 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.504 -0.748 . . . . 0.0 111.309 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.74 -48.69 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.187 0.995 . . . . 0.0 109.882 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -61.73 -28.15 69.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.098 0.959 . . . . 0.0 113.186 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.36 -46.94 30.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.829 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.02 -24.9 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.94 38.49 0.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.785 1.234 . . . . 0.0 112.466 174.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.14 -24.46 67.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.307 1.443 . . . . 0.0 113.935 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.19 -16.32 60.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.907 1.283 . . . . 0.0 113.219 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.72 80.46 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.9 1.238 . . . . 0.0 113.728 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.58 -26.56 60.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 113.869 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.28 74.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.07 1.319 . . . . 0.0 113.17 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.1 p -137.27 161.18 36.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.925 1.69 . . . . 0.0 111.75 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.56 125.28 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.093 1.757 . . . . 0.0 108.557 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.22 153.78 22.4 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.459 1.104 . . . . 0.0 111.354 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -53.03 -48.75 90.71 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 -28.41 60.45 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.19 1.926 . . . . 0.0 113.695 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -74.26 -36.58 63.84 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.133 0.879 . . . . 0.0 111.488 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.8 -42.83 99.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.143 0.977 . . . . 0.0 112.127 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -26.89 68.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -67.51 -31.88 72.31 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.017 1.281 . . . . 0.0 112.628 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -70.79 -27.5 63.95 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.65 0.78 . . . . 0.0 112.868 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.8 mmm -81.89 -46.11 14.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.695 1.198 . . . . 0.0 112.137 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.707 0 C-N-CA 125.829 1.652 . . . . 0.0 113.576 -172.104 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.52 -40.01 88.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.716 0.806 . . . . 0.0 112.345 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.29 -36.0 58.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.538 0.735 . . . . 0.0 110.472 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.84 -44.97 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.015 0.926 . . . . 0.0 110.141 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -58.87 -44.22 91.03 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.551 -0.718 . . . . 0.0 112.048 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.62 -28.83 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.509 1.05 . . . . 0.0 112.958 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.31 82.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 110.449 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -63.72 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 171.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.54 -39.21 93.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.132 0.878 . . . . 0.0 111.886 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.62 -38.39 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.869 0.868 . . . . 0.0 112.393 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -81.35 -17.68 48.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.29 116.95 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.871 1.214 . . . . 0.0 110.057 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.73 -8.98 59.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.245 . . . . 0.0 114.227 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -129.16 -19.91 3.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.184 1.394 . . . . 0.0 114.014 -173.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.98 22.26 61.57 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.44 1.019 . . . . 0.0 113.034 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.7 -22.83 60.83 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.5 1.52 . . . . 0.0 114.377 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.65 74.34 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 125.172 1.367 . . . . 0.0 113.65 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -136.74 151.65 49.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.984 2.114 . . . . 0.0 110.804 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.48 159.07 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.903 1.281 . . . . 0.0 109.859 172.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 p -79.53 148.8 31.66 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.017 -1.052 . . . . 0.0 111.961 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.8 72.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.833 0.853 . . . . 0.0 112.108 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.56 85.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.251 1.02 . . . . 0.0 112.227 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.45 -47.4 76.29 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.998 0.519 . . . . 0.0 111.177 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.21 -47.66 84.49 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.84 0.745 . . . . 0.0 111.41 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.3 ttp-105 -56.33 -46.8 79.74 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 111.478 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.58 -45.22 91.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.476 0.71 . . . . 0.0 112.73 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.03 -53.93 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.173 0.589 . . . . 0.0 109.952 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.6 mmt -71.94 -20.72 61.71 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -167.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 p -88.18 -9.72 52.18 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 117.457 -1.258 . . . . 0.0 114.318 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.87 -24.04 2.45 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.96 154.84 19.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.891 1.276 . . . . 0.0 111.77 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.24 -136.39 34.74 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.348 0.975 . . . . 0.0 113.279 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -92.48 87.87 6.15 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.76 1.624 . . . . 0.0 108.47 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -53.73 138.92 34.16 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.596 1.158 . . . . 0.0 113.743 -165.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 mp -90.11 146.88 23.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.42 1.488 . . . . 0.0 112.292 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 m -71.94 159.9 33.46 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.954 1.701 . . . . 0.0 110.242 170.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.19 -42.71 66.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.939 1.296 . . . . 0.0 112.289 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.99 -28.33 66.51 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.66 -48.68 30.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.005 0.82 . . . . 0.0 109.879 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.02 -33.99 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.973 0.806 . . . . 0.0 112.634 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.96 -40.95 97.31 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.51 1.05 . . . . 0.0 111.416 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -71.29 -39.99 71.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 112.476 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.1 -50.37 73.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.68 0.673 . . . . 0.0 110.379 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.18 -40.21 88.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.488 0.715 . . . . 0.0 111.326 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -61.1 -38.5 86.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.729 1.15 . . . . 0.0 112.099 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -80.47 -27.9 37.72 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.81 -40.12 19.12 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.038 -1.038 . . . . 0.0 113.663 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 126.779 2.032 . . . . 0.0 111.908 -179.742 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -103.43 129.22 50.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.046 1.338 . . . . 0.0 110.31 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -91.6 121.05 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.677 1.591 . . . . 0.0 109.421 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.82 76.36 5.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.291 1.437 . . . . 0.0 109.57 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -64.09 -29.52 70.65 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.97 -46.67 88.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.847 0.859 . . . . 0.0 111.627 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.27 -25.82 36.25 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.787 -0.571 . . . . 0.0 112.408 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.66 -34.8 71.64 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.197 -0.94 . . . . 0.0 112.603 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.15 -54.7 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 118.547 0.612 . . . . 0.0 111.136 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.32 -32.85 72.23 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.19 -28.59 69.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -90.82 -29.12 17.76 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.4 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 120.211 1.369 . . . . 0.0 113.155 -179.84 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.79 -36.81 83.27 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.105 -0.997 . . . . 0.0 112.256 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.5 m -81.79 -30.48 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.021 0.528 . . . . 0.0 112.19 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.9 m -61.29 -43.39 98.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.81 0.732 . . . . 0.0 111.481 172.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.19 55.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.379 0.671 . . . . 0.0 110.782 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.9 mtm -57.21 -36.37 70.79 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -40.9 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.193 0.597 . . . . 0.0 111.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.82 -40.79 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.469 -0.769 . . . . 0.0 110.956 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.66 -40.18 88.51 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.692 0.797 . . . . 0.0 111.677 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.69 -42.32 99.57 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.142 0.577 . . . . 0.0 111.716 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.52 89.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.748 0.819 . . . . 0.0 112.542 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -66.55 -39.03 88.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.239 0.615 . . . . 0.0 111.904 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.66 -34.99 76.66 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.242 -0.911 . . . . 0.0 112.235 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -63.15 -40.37 97.35 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.362 0.983 . . . . 0.0 111.727 167.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.26 -50.12 74.9 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.169 0.895 . . . . 0.0 111.739 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 N--CA 1.471 0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 112.912 177.471 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.6 p -120.52 162.23 19.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.577 1.951 . . . . 0.0 110.56 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.28 -33.65 71.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.52 -21.98 61.84 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -83.97 -43.63 15.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.201 -0.937 . . . . 0.0 110.036 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.38 -39.55 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.333 1.053 . . . . 0.0 111.395 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -26.04 68.12 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.163 0.985 . . . . 0.0 113.612 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -87.29 -42.0 13.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.431 1.092 . . . . 0.0 111.365 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -67.1 -28.5 68.22 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.635 0.774 . . . . 0.0 112.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -60.99 -42.12 97.82 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.636 1.175 . . . . 0.0 112.914 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.08 -38.42 88.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.427 0.691 . . . . 0.0 111.648 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.67 53.02 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.119 0.568 . . . . 0.0 112.04 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -58.57 -39.72 81.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.439 1.095 . . . . 0.0 112.284 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -70.0 -14.46 62.71 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.29 -32.05 55.22 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.78 1.173 . . . . 0.0 111.695 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -86.4 -10.21 54.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.475 1.51 . . . . 0.0 113.126 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -79.74 76.91 6.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.333 1.453 . . . . 0.0 110.228 167.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.94 -23.56 64.16 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.98 -17.04 24.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.017 1.327 . . . . 0.0 113.479 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.98 30.16 48.33 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.615 1.102 . . . . 0.0 113.066 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -102.02 -6.18 23.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.773 1.629 . . . . 0.0 114.143 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.11 11.5 67.22 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.971 1.272 . . . . 0.0 114.518 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.0 p -126.79 160.84 29.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.3 1.84 . . . . 0.0 111.419 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -117.07 160.55 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.877 0.871 . . . . 0.0 110.31 165.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -72.58 150.3 43.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -55.62 -36.77 67.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.984 1.314 . . . . 0.0 112.301 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.78 -28.54 67.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.035 1.334 . . . . 0.0 113.677 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.68 -8.35 56.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.707 1.203 . . . . 0.0 113.14 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.71 -49.82 75.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.971 1.259 . . . . 0.0 111.405 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.68 -21.93 73.2 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.277 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 m -78.1 -50.66 11.59 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.66 1.23 . . . . 0.0 110.476 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.46 -38.46 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.058 0.845 . . . . 0.0 112.585 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.23 -40.42 86.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.703 1.138 . . . . 0.0 112.475 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -73.01 -28.24 62.25 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.806 -0.559 . . . . 0.0 112.506 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -69.33 -28.52 66.31 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.982 -1.074 . . . . 0.0 112.93 169.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -83.47 10.07 9.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.161 1.784 . . . . 0.0 112.561 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.41 12.84 82.03 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.623 1.106 . . . . 0.0 114.587 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.78 147.24 37.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.78 1.29 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -116.25 28.94 0.12 Allowed Pre-proline 0 CA--C 1.563 1.472 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -68.71 159.2 54.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.605 1.966 . . . . 0.0 110.884 171.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -72.2 166.17 22.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.266 0.626 . . . . 0.0 112.504 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.71 -33.85 70.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.965 0.506 . . . . 0.0 111.794 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -40.74 73.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.126 0.971 . . . . 0.0 112.637 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.7 -39.86 88.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.21 0.604 . . . . 0.0 111.455 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.16 -37.77 86.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.695 0.68 . . . . 0.0 111.868 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.2 -40.85 94.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.547 0.739 . . . . 0.0 111.274 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.67 -33.49 75.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.047 0.939 . . . . 0.0 112.831 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtt -66.03 -31.06 71.73 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.993 0.917 . . . . 0.0 112.098 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.13 -52.91 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.757 0.823 . . . . 0.0 109.418 171.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -55.55 -27.89 51.61 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -68.31 -23.64 64.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.079 1.351 . . . . 0.0 113.164 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.4 m -123.86 -24.85 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -88.72 8.63 27.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 113.456 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.47 69.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.209 1.403 . . . . 0.0 113.425 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.24 -0.5 56.81 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.883 1.273 . . . . 0.0 113.115 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.51 28.55 39.11 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.133 1.349 . . . . 0.0 113.585 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.21 -39.98 96.17 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.6 -7.84 23.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.533 1.54 . . . . 0.0 114.741 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -143.82 160.35 40.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.146 2.178 . . . . 0.0 111.006 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.4 130.91 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.906 1.682 . . . . 0.0 109.154 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -90.23 152.02 21.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.68 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -52.69 -51.85 69.77 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -170.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.92 -26.54 59.08 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.317 1.863 . . . . 0.0 113.554 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.44 -42.54 64.93 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.664 1.12 . . . . 0.0 110.955 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.1 -42.88 81.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.763 1.225 . . . . 0.0 112.247 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 -39.0 87.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.366 0.53 . . . . 0.0 112.374 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 m -64.3 -45.71 86.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.3 1.04 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.84 -31.46 72.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -65.4 -55.37 18.46 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.128 0.877 . . . . 0.0 110.99 170.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.225 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.25 -37.61 60.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.055 0.942 . . . . 0.0 111.817 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.93 -41.63 86.69 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.455 -0.778 . . . . 0.0 110.704 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mt -65.04 -38.23 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.509 1.123 . . . . 0.0 110.849 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.55 -44.55 96.0 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.992 0.917 . . . . 0.0 112.617 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.24 -32.51 74.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.481 0.712 . . . . 0.0 112.217 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.56 71.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 112.753 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -78.05 -36.92 47.88 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.557 -0.714 . . . . 0.0 112.354 168.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -62.52 -35.15 78.48 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.286 0.635 . . . . 0.0 112.516 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.27 -19.17 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.8 -0.35 55.88 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.017 1.327 . . . . 0.0 113.69 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -79.29 65.22 4.4 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.087 1.355 . . . . 0.0 110.876 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -63.61 -25.94 68.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.451 1.5 . . . . 0.0 113.929 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.64 -14.55 48.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.136 1.374 . . . . 0.0 113.482 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.03 11.75 83.77 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.862 1.22 . . . . 0.0 114.014 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -86.11 -18.27 32.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.861 1.265 . . . . 0.0 114.307 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.98 17.35 54.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.494 1.521 . . . . 0.0 114.022 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -139.65 155.95 47.11 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.655 1.582 . . . . 0.0 112.679 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.16 173.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.044 1.738 . . . . 0.0 109.654 167.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.4 p -105.46 162.2 13.67 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.408 -1.433 . . . . 0.0 112.454 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.93 74.69 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.085 -1.009 . . . . 0.0 111.525 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.85 81.31 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.67 0.788 . . . . 0.0 112.356 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.07 -44.85 91.16 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.497 0.719 . . . . 0.0 110.661 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 mt -56.63 -41.32 76.91 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.173 0.897 . . . . 0.0 112.229 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -66.47 -9.67 36.71 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -110.14 -52.73 2.75 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.994 1.317 . . . . 0.0 112.131 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.06 -23.85 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.636 1.174 . . . . 0.0 113.21 -170.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.8 mmt -87.89 -13.85 40.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.466 1.107 . . . . 0.0 113.751 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -115.55 3.12 13.96 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -165.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.36 -18.9 0.87 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.34 127.05 41.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.527 1.131 . . . . 0.0 110.34 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.31 -140.51 37.54 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.65 0.643 . . . . 0.0 111.805 -174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.54 150.87 48.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.16 0.505 . . . . 0.0 110.701 164.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -94.46 127.45 40.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.983 -1.073 . . . . 0.0 112.216 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -73.32 140.61 46.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.7 0.8 . . . . 0.0 110.823 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -66.51 150.62 48.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.767 1.627 . . . . 0.0 110.937 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.33 -29.25 70.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.875 1.27 . . . . 0.0 113.961 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.52 -35.73 45.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.66 0.784 . . . . 0.0 111.671 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.6 -40.81 55.89 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.977 0.911 . . . . 0.0 111.709 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.52 -32.69 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.56 1.073 . . . . 0.0 111.654 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.14 -39.96 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.333 -0.854 . . . . 0.0 112.072 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.72 -33.86 74.65 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.973 0.909 . . . . 0.0 112.015 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.3 ttm -59.29 -47.29 85.93 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.234 -0.916 . . . . 0.0 110.93 168.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.47 -28.22 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.057 0.943 . . . . 0.0 113.189 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -52.1 -37.82 55.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.434 1.015 . . . . 0.0 112.502 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -11.21 34.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.695 1.198 . . . . 0.0 113.609 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -38.3 14.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.935 1.243 . . . . 0.0 113.005 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.544 0.718 0 C-N-CA 126.35 1.86 . . . . 0.0 114.501 -174.062 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.434 0 CA-C-O 120.087 -0.285 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -84.17 149.05 26.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.161 1.384 . . . . 0.0 109.997 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 119.33 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.59 96.89 5.59 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 162.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -66.65 -22.54 66.1 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.97 -44.03 97.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.748 1.219 . . . . 0.0 111.737 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.16 -29.69 57.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.815 0.846 . . . . 0.0 112.336 170.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.55 -37.07 85.91 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.025 -1.047 . . . . 0.0 112.345 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -51.22 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.873 0.869 . . . . 0.0 110.244 168.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.25 -38.87 92.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.37 0.668 . . . . 0.0 112.174 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.1 mtm -68.85 -33.95 74.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 112.847 174.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.7 ttm -71.53 -43.33 66.63 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.682 0.793 . . . . 0.0 111.984 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 N--CA 1.478 0.936 0 C-N-CA 125.01 1.324 . . . . 0.0 114.115 -175.671 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.6 -46.93 62.47 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.361 -0.837 . . . . 0.0 111.625 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -67.52 -32.51 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.739 0.7 . . . . 0.0 111.548 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 60.6 m -62.27 -45.86 91.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.516 1.053 . . . . 0.0 112.082 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.59 86.18 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.51 -0.744 . . . . 0.0 111.336 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.5 mtm -66.76 -31.0 71.36 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 8.8 t -65.26 -44.78 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.464 1.105 . . . . 0.0 111.315 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.33 -41.0 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.464 0.575 . . . . 0.0 110.825 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -62.47 -40.93 98.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.618 0.767 . . . . 0.0 111.833 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -65.81 -42.45 90.64 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.113 -0.992 . . . . 0.0 111.187 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.68 88.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.944 0.898 . . . . 0.0 112.502 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 55.7 t80 -67.77 -41.52 83.17 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.879 -0.513 . . . . 0.0 111.704 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -63.59 -35.81 81.74 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.006 -1.058 . . . . 0.0 112.188 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.56 -40.66 84.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.084 0.954 . . . . 0.0 111.944 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.83 -42.83 94.4 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.867 0.867 . . . . 0.0 111.731 172.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.019 0.928 . . . . 0.0 112.709 176.164 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.0 p -132.05 159.86 37.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.292 1.837 . . . . 0.0 111.347 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.76 -39.69 74.48 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.327 1.051 . . . . 0.0 112.651 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.99 -22.8 63.1 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -84.34 -44.48 13.75 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.57 0.748 . . . . 0.0 110.675 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.73 -39.25 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.589 1.156 . . . . 0.0 111.636 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.22 68.15 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.247 1.019 . . . . 0.0 113.639 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -90.37 -37.24 14.14 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.246 1.018 . . . . 0.0 112.036 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -63.9 -28.73 70.03 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.428 -0.795 . . . . 0.0 112.976 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.7 tppt? -54.64 -40.64 69.2 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.598 1.159 . . . . 0.0 112.378 170.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.28 -42.88 78.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.677 0.791 . . . . 0.0 112.12 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.96 75.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.129 0.572 . . . . 0.0 112.21 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.01 -34.49 78.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.058 0.943 . . . . 0.0 112.115 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 t -62.17 -31.16 71.63 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.804 1.242 . . . . 0.0 113.88 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -25.26 61.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.695 -1.253 . . . . 0.0 112.811 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -90.51 -15.58 30.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.166 1.387 . . . . 0.0 112.509 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -78.16 69.22 4.34 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.822 1.649 . . . . 0.0 110.948 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -65.73 -24.88 67.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.055 1.342 . . . . 0.0 114.101 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.54 -19.49 31.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 113.109 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.3 9.87 86.57 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.81 1.195 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -91.2 -13.14 33.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.025 1.73 . . . . 0.0 113.741 -173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 19.63 17.17 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.116 1.341 . . . . 0.0 115.099 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -128.61 153.29 47.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.462 1.505 . . . . 0.0 111.695 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -115.49 162.42 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.088 1.355 . . . . 0.0 110.832 169.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 151.13 41.87 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.433 -0.792 . . . . 0.0 109.075 168.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -57.33 -36.69 71.47 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.364 1.066 . . . . 0.0 111.751 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.12 -24.04 67.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 113.776 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.85 -7.77 57.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.901 1.28 . . . . 0.0 112.613 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.51 -50.03 75.19 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.981 -1.075 . . . . 0.0 111.72 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.5 63.26 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.391 0.519 . . . . 0.0 112.852 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 -44.99 19.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.089 1.356 . . . . 0.0 110.771 173.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.18 -28.85 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 120.377 1.444 . . . . 0.0 112.243 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -56.94 -56.57 20.02 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.169 0.987 . . . . 0.0 110.765 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -67.99 -30.25 69.47 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -63.63 -36.2 83.05 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.88 -1.137 . . . . 0.0 112.712 171.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.54 -4.26 55.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.187 1.395 . . . . 0.0 114.033 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 9.59 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.831 1.205 . . . . 0.0 114.314 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.9 146.71 33.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.341 1.056 . . . . 0.0 109.83 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -128.92 48.44 3.64 Favored Pre-proline 0 CA--C 1.556 1.189 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -65.29 149.89 87.94 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.731 2.287 . . . . 0.0 110.746 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -71.88 167.26 20.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.713 0.805 . . . . 0.0 111.917 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.94 -37.17 71.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.722 0.809 . . . . 0.0 111.518 169.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.31 79.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 112.557 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.4 -44.33 91.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.593 0.633 . . . . 0.0 111.783 174.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.93 -49.31 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.511 0.724 . . . . 0.0 110.88 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -65.23 -38.65 91.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.043 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.09 -34.74 78.73 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.563 1.074 . . . . 0.0 112.84 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -71.62 -41.65 68.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.57 0.623 . . . . 0.0 110.565 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.58 -46.59 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.96 0.904 . . . . 0.0 110.582 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -57.66 -31.95 66.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.599 1.159 . . . . 0.0 112.635 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.71 -48.85 12.97 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.633 0.773 . . . . 0.0 112.234 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -80.58 -26.18 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -174.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -95.64 27.8 3.29 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.924 1.29 . . . . 0.0 112.848 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.87 64.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -84.99 -12.22 53.73 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 113.441 173.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.73 12.01 82.09 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.195 1.379 . . . . 0.0 115.747 171.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.74 -22.69 64.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.956 1.378 . . . . 0.0 114.353 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.38 9.27 85.16 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.404 1.478 . . . . 0.0 114.054 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -134.45 159.82 39.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.741 1.616 . . . . 0.0 112.565 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.3 mt -128.46 130.99 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.165 1.786 . . . . 0.0 109.176 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.22 151.96 20.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.083 1.753 . . . . 0.0 111.085 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 34.1 t80 -50.37 -52.76 51.77 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -171.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.73 -24.51 47.37 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.482 2.121 . . . . 0.0 113.591 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.29 -38.51 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.207 0.912 . . . . 0.0 111.016 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.89 -39.93 95.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.518 1.127 . . . . 0.0 112.08 169.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.39 -34.46 78.21 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.908 -1.12 . . . . 0.0 112.539 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 m -61.85 -41.57 97.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.07 0.948 . . . . 0.0 111.233 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ptp -75.28 -32.52 61.04 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.279 0.945 . . . . 0.0 112.975 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mmm -64.88 -33.9 77.1 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.096 0.862 . . . . 0.0 112.735 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 124.259 1.024 . . . . 0.0 112.748 175.56 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.83 -34.68 78.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.048 0.939 . . . . 0.0 112.687 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.81 -41.25 75.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.265 0.938 . . . . 0.0 110.41 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.2 -41.7 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.628 0.771 . . . . 0.0 110.097 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -65.45 -43.26 90.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.634 0.652 . . . . 0.0 112.154 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.71 -36.31 76.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.744 0.818 . . . . 0.0 112.412 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.7 70.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -80.43 -38.96 29.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.076 0.853 . . . . 0.0 112.928 167.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -58.2 -34.52 70.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.992 0.917 . . . . 0.0 112.714 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.06 -26.6 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.76 -12.88 40.9 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.374 1.07 . . . . 0.0 113.144 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.73 127.76 32.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.952 0.901 . . . . 0.0 110.225 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.94 -10.31 59.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.441 1.096 . . . . 0.0 113.845 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -131.08 -14.08 3.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.463 1.905 . . . . 0.0 113.555 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.1 8.97 85.82 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.353 1.454 . . . . 0.0 113.563 -171.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -67.06 -24.39 65.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.671 1.988 . . . . 0.0 115.485 -166.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.05 12.63 17.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.376 1.465 . . . . 0.0 114.382 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -139.26 140.47 37.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.893 1.277 . . . . 0.0 114.281 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.93 158.42 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.419 1.888 . . . . 0.0 109.839 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 m -78.01 149.05 34.1 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.142 -0.974 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.53 98.69 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.749 -1.219 . . . . 0.0 112.448 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.474 -0.767 . . . . 0.0 111.952 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.98 -49.66 73.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.89 1.676 . . . . 0.0 111.324 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.99 -46.79 85.99 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.488 -0.758 . . . . 0.0 111.242 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -55.71 -45.44 77.9 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.526 0.731 . . . . 0.0 111.547 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.86 -45.03 65.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.93 -26.26 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.467 -1.396 . . . . 0.0 112.246 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.94 -34.88 62.15 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.685 1.194 . . . . 0.0 113.819 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.3 p -84.85 -22.9 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.228 0.922 . . . . 0.0 112.803 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -99.69 -40.04 7.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -170.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.7 157.95 15.67 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.613 1.165 . . . . 0.0 112.584 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.39 -147.98 46.5 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.312 1.434 . . . . 0.0 113.82 168.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.78 122.03 18.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 157.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -75.34 119.74 19.86 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.741 -0.6 . . . . 0.0 111.856 -166.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.1 153.91 31.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.781 0.832 . . . . 0.0 110.504 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 p -86.98 156.62 19.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.874 1.269 . . . . 0.0 112.821 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -55.94 -39.18 71.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.926 1.29 . . . . 0.0 112.808 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.14 -34.68 76.79 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.792 0.837 . . . . 0.0 112.206 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -77.18 -44.91 28.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.47 -29.06 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.66 1.118 . . . . 0.0 112.513 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.11 -41.21 90.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.514 1.052 . . . . 0.0 111.582 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -70.05 -33.13 71.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.13 0.572 . . . . 0.0 111.987 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -64.75 -47.65 77.45 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.465 -0.772 . . . . 0.0 110.909 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.57 -44.8 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.552 1.141 . . . . 0.0 111.362 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.52 -40.4 62.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.879 1.272 . . . . 0.0 112.414 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -91.77 -27.35 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.55 -42.37 12.11 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -175.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.475 0.792 0 O-C-N 121.337 -0.852 . . . . 0.0 112.919 -172.237 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.318 0 CA-C-O 120.033 -0.315 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -101.51 133.98 45.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.245 1.418 . . . . 0.0 109.394 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.85 121.01 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.909 1.683 . . . . 0.0 109.102 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.04 97.24 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 165.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -73.6 -25.44 60.33 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.29 -43.91 98.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.959 0.904 . . . . 0.0 111.615 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -74.9 -34.96 62.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.85 0.86 . . . . 0.0 111.87 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -63.16 -36.48 83.76 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.389 -0.819 . . . . 0.0 112.87 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.1 t -55.28 -33.55 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.795 0.838 . . . . 0.0 112.627 174.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.22 -46.06 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.183 0.901 . . . . 0.0 111.786 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.9 ptp -74.31 -11.77 60.36 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.7 mtm -84.25 -37.91 21.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.48 1.037 0 C-N-CA 124.81 1.244 . . . . 0.0 113.775 -175.797 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.44 -35.73 78.02 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.656 -0.653 . . . . 0.0 112.208 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.8 m -87.23 -29.13 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.887 0.875 . . . . 0.0 112.754 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 67.8 m -64.36 -39.19 93.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.124 -0.985 . . . . 0.0 111.645 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.76 51.98 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.96 -17.3 35.75 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 97.3 t -82.11 -41.51 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.301 0.955 . . . . 0.0 111.131 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.56 -43.03 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.561 -0.712 . . . . 0.0 110.754 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.01 -29.29 68.26 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.91 -44.84 91.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.524 1.056 . . . . 0.0 111.036 170.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.55 76.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.957 0.903 . . . . 0.0 111.901 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.48 -36.8 71.27 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.985 -1.072 . . . . 0.0 112.939 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -63.44 -32.69 74.21 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.535 -1.353 . . . . 0.0 111.88 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -69.84 -42.7 73.24 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.421 1.088 . . . . 0.0 111.819 170.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -52.69 -48.95 66.21 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.822 -1.174 . . . . 0.0 112.079 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 123.524 0.73 . . . . 0.0 111.833 178.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -117.97 158.07 25.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.692 1.597 . . . . 0.0 110.841 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.82 -31.53 70.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.34 -24.51 63.0 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.971 0.909 . . . . 0.0 113.239 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -80.17 -45.76 17.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.352 0.661 . . . . 0.0 109.94 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.44 -35.31 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.062 0.945 . . . . 0.0 111.561 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.66 70.65 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.2 1.0 . . . . 0.0 113.624 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.79 -38.89 20.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.1 0.96 . . . . 0.0 111.441 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -65.82 -33.11 75.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.728 0.811 . . . . 0.0 111.813 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 3.8 tppp? -55.81 -46.97 77.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.421 1.088 . . . . 0.0 111.415 170.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.62 -42.63 95.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.627 0.771 . . . . 0.0 111.447 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.59 80.66 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -66.94 -35.22 79.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.038 0.935 . . . . 0.0 112.229 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -61.55 -31.09 71.1 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.68 1.192 . . . . 0.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -27.99 67.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.455 -0.778 . . . . 0.0 112.06 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -92.59 -16.95 25.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.439 1.496 . . . . 0.0 112.944 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.02 72.0 4.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.111 1.364 . . . . 0.0 111.427 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -64.7 -31.17 72.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.387 1.075 . . . . 0.0 113.607 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.05 -16.64 35.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.875 1.27 . . . . 0.0 113.35 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 8.73 87.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.852 1.215 . . . . 0.0 114.372 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.93 -11.95 49.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.363 1.465 . . . . 0.0 113.47 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.53 27.97 12.19 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.325 1.441 . . . . 0.0 113.804 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -132.89 154.27 50.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.089 1.356 . . . . 0.0 112.565 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.81 164.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.283 1.833 . . . . 0.0 110.139 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -80.78 164.47 22.7 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.201 0.91 . . . . 0.0 110.656 165.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -63.44 -19.68 64.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.072 0.949 . . . . 0.0 111.464 170.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -74.15 -18.58 60.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.04 -9.91 23.31 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.742 1.617 . . . . 0.0 112.755 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.89 -49.94 75.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.013 0.925 . . . . 0.0 111.049 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.26 -26.34 70.46 Favored Glycine 0 N--CA 1.471 1.014 0 O-C-N 121.593 -0.692 . . . . 0.0 113.488 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -74.44 -48.58 26.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.887 1.275 . . . . 0.0 110.837 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -29.7 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.888 0.767 . . . . 0.0 112.814 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 mmt -56.98 -52.28 65.87 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.296 0.953 . . . . 0.0 111.173 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.71 -30.93 67.61 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.817 . . . . 0.0 112.76 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -66.83 -28.52 68.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.303 -0.873 . . . . 0.0 112.825 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.82 -0.15 54.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.136 1.374 . . . . 0.0 113.109 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 8.57 77.65 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.037 1.303 . . . . 0.0 114.627 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -82.72 149.54 27.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.736 1.268 . . . . 0.0 110.206 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -123.87 49.76 3.0 Favored Pre-proline 0 CA--C 1.557 1.217 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.41 150.24 80.68 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.768 2.312 . . . . 0.0 111.013 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -74.4 169.66 17.25 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 111.432 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.74 -32.97 67.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.808 0.443 . . . . 0.0 111.932 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.69 65.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.35 1.06 . . . . 0.0 112.397 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -69.24 -32.99 72.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.621 0.646 . . . . 0.0 112.06 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.41 -47.64 72.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.231 0.612 . . . . 0.0 111.145 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.11 -39.49 86.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.806 0.73 . . . . 0.0 111.834 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.44 -34.72 74.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.803 1.241 . . . . 0.0 113.28 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.7 mtm -78.99 -46.77 17.54 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.774 0.829 . . . . 0.0 111.555 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.24 -50.39 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.278 1.031 . . . . 0.0 111.23 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -21.78 65.96 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.718 1.144 . . . . 0.0 113.264 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.21 -47.95 46.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.66 0.784 . . . . 0.0 111.076 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.43 -31.97 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.836 0.744 . . . . 0.0 112.782 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.25 5.07 11.12 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.708 1.203 . . . . 0.0 113.611 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.21 -21.01 66.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.499 0.72 . . . . 0.0 112.391 167.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.15 -21.03 61.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.042 1.737 . . . . 0.0 113.152 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.15 72.62 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.233 1.397 . . . . 0.0 116.093 170.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -81.96 -11.81 58.68 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.484 1.642 . . . . 0.0 115.012 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.95 6.24 88.77 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 124.371 0.986 . . . . 0.0 115.532 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -128.74 163.63 24.72 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.797 . . . . 0.0 111.172 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.28 129.1 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.92 2.088 . . . . 0.0 108.312 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.24 158.79 16.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.58 1.152 . . . . 0.0 112.709 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 41.6 t80 -56.95 -48.5 97.32 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.851 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -54.09 -43.93 53.92 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.607 2.205 . . . . 0.0 114.286 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.54 -42.82 86.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.914 0.886 . . . . 0.0 112.067 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -56.6 -48.92 76.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.868 1.267 . . . . 0.0 111.246 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.6 -33.18 74.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.668 0.787 . . . . 0.0 112.891 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.0 m -65.92 -50.1 65.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.183 0.993 . . . . 0.0 111.013 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.54 -32.69 71.66 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.675 0.671 . . . . 0.0 112.669 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 46.8 mmm -61.59 -45.25 94.9 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.157 0.89 . . . . 0.0 112.403 171.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 124.475 1.11 . . . . 0.0 112.028 176.216 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.22 -42.69 79.4 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.557 0.743 . . . . 0.0 111.703 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.87 -42.22 90.63 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.44 -0.787 . . . . 0.0 110.953 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.8 mt -65.37 -43.73 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.744 0.818 . . . . 0.0 110.361 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -60.41 -43.47 96.68 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.528 0.604 . . . . 0.0 111.924 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.09 -34.55 78.29 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.311 0.505 . . . . 0.0 112.333 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.05 97.4 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.407 -0.808 . . . . 0.0 111.554 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -68.21 -35.29 77.75 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -63.03 -38.19 90.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.209 1.004 . . . . 0.0 111.851 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.2 t -57.89 -31.61 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.037 0.935 . . . . 0.0 111.943 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.31 -3.72 53.0 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -90.2 104.12 16.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.66 1.184 . . . . 0.0 109.699 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -76.27 -13.94 60.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.426 1.09 . . . . 0.0 113.37 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -112.22 -23.06 10.62 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.314 1.446 . . . . 0.0 113.433 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.98 18.3 75.18 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.623 1.106 . . . . 0.0 112.932 -171.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.92 -17.78 58.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.835 1.654 . . . . 0.0 114.642 -171.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.04 69.87 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.92 1.248 . . . . 0.0 113.505 -172.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -136.86 149.12 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.035 1.734 . . . . 0.0 112.047 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 pt -133.53 161.78 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.292 1.437 . . . . 0.0 111.145 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -76.21 141.8 41.68 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.881 -1.137 . . . . 0.0 111.962 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.7 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.503 -0.748 . . . . 0.0 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.39 80.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.574 0.749 . . . . 0.0 112.32 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.3 -49.1 68.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.862 0.865 . . . . 0.0 110.753 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -39.53 85.4 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 0.894 . . . . 0.0 111.903 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -62.52 -41.86 99.13 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.702 -0.624 . . . . 0.0 111.565 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -72.75 -43.05 63.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.219 1.007 . . . . 0.0 113.343 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -23.72 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.476 -1.39 . . . . 0.0 113.079 -173.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.6 mmt -81.08 -18.05 47.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.986 1.714 . . . . 0.0 114.071 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -115.65 -12.64 11.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.112 1.365 . . . . 0.0 113.695 -175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -101.17 -33.61 10.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.546 1.138 . . . . 0.0 114.046 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.9 mt -112.72 150.91 30.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.337 1.455 . . . . 0.0 112.419 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.69 -151.82 50.68 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.665 1.126 . . . . 0.0 113.475 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.15 142.48 50.71 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 160.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -93.43 138.77 31.42 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -167.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.52 153.06 25.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.029 0.931 . . . . 0.0 110.693 167.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -77.34 153.41 33.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.577 1.151 . . . . 0.0 112.128 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.53 -38.5 87.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.05 -29.44 67.58 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.68 0.792 . . . . 0.0 112.727 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.86 -47.1 9.99 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.575 1.15 . . . . 0.0 110.805 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.18 -32.89 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.89 1.223 . . . . 0.0 112.596 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.61 -36.3 83.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.207 -0.933 . . . . 0.0 112.116 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.93 -37.34 62.05 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.844 0.858 . . . . 0.0 111.566 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 54.8 ttm -53.97 -45.05 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.112 0.965 . . . . 0.0 111.325 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.8 mm -67.58 -51.36 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 122.999 0.52 . . . . 0.0 110.871 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -54.8 -42.9 72.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.709 0.804 . . . . 0.0 112.718 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -84.27 -11.22 56.81 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.4 -39.08 10.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.213 1.005 . . . . 0.0 112.649 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.5 t70 . . . . . 0 N--CA 1.472 0.637 0 C-N-CA 125.54 1.536 . . . . 0.0 113.122 -177.356 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.005 0 N-CA-C 112.139 -0.384 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -84.53 151.35 24.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 109.84 161.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.6 t -85.16 124.48 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.116 1.766 . . . . 0.0 110.018 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -80.62 67.39 6.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.555 1.542 . . . . 0.0 111.018 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -61.99 -31.32 71.67 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.6 -29.07 69.8 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.74 -42.11 18.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.634 0.774 . . . . 0.0 111.304 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.76 -31.43 70.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.901 0.88 . . . . 0.0 113.1 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 t -44.29 -50.34 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.138 1.375 . . . . 0.0 111.564 166.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -86.07 -30.86 22.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.693 0.797 . . . . 0.0 111.876 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.9 mtm -65.66 -24.23 66.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.691 0.678 . . . . 0.0 112.656 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.3 mtm -75.68 -44.27 43.16 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.658 0.783 . . . . 0.0 113.04 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 123.767 0.827 . . . . 0.0 113.067 -175.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.98 -40.89 87.53 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.115 0.966 . . . . 0.0 112.276 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.1 m -81.38 -31.56 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.548 0.739 . . . . 0.0 112.767 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 71.4 m -61.56 -41.79 97.91 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.261 0.937 . . . . 0.0 111.789 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.64 58.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.503 1.121 . . . . 0.0 113.548 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -83.41 -21.29 33.04 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.6 t -76.46 -43.46 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.915 1.234 . . . . 0.0 111.247 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.97 -47.85 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 122.58 0.352 . . . . 0.0 110.767 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.18 -28.33 67.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.297 -0.859 . . . . 0.0 113.02 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.333 1.424 . . . . 0.0 111.466 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.04 76.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.758 0.823 . . . . 0.0 112.114 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -68.02 -40.83 82.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.233 0.613 . . . . 0.0 112.531 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.67 -45.8 90.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.371 1.068 . . . . 0.0 111.136 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -62.29 -41.48 98.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.17 -46.77 89.15 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.528 -0.732 . . . . 0.0 112.207 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.471 0.591 0 O-C-N 121.196 -0.94 . . . . 0.0 112.893 178.02 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -111.02 160.21 17.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.7 -34.43 74.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.177 0.991 . . . . 0.0 112.714 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.25 -22.47 63.84 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.95 -44.92 14.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.141 0.977 . . . . 0.0 110.463 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.67 -32.6 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.417 1.487 . . . . 0.0 111.874 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.27 67.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 113.444 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -88.95 -41.88 12.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.372 1.069 . . . . 0.0 111.443 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -65.96 -29.26 69.62 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.633 -0.667 . . . . 0.0 112.73 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.1 tppt? -51.91 -44.36 63.79 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 112.231 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.92 -36.13 79.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.915 0.886 . . . . 0.0 111.815 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.98 -42.06 40.44 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.25 0.477 . . . . 0.0 112.016 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.83 -43.45 98.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.238 1.015 . . . . 0.0 112.361 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -69.13 -15.12 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -26.86 59.78 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.896 1.226 . . . . 0.0 111.767 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -95.0 -2.83 49.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.011 1.724 . . . . 0.0 113.38 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -79.27 69.95 5.58 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.415 1.886 . . . . 0.0 110.448 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.16 -29.87 70.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.875 1.27 . . . . 0.0 113.382 -174.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.55 -19.44 38.56 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.946 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 3.31 90.61 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.007 1.289 . . . . 0.0 114.927 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -89.23 -9.61 50.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.363 1.465 . . . . 0.0 113.478 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.81 27.46 9.59 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.006 1.288 . . . . 0.0 113.555 -176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -130.73 137.44 49.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.278 1.431 . . . . 0.0 111.256 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -100.22 159.13 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.366 0.667 . . . . 0.0 110.289 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -75.15 150.4 38.75 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.296 1.038 . . . . 0.0 112.371 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.57 -25.5 66.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.234 1.014 . . . . 0.0 113.385 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.87 -6.61 58.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.812 1.245 . . . . 0.0 113.433 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.03 -47.49 85.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.381 0.991 . . . . 0.0 110.816 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.98 -27.98 72.1 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.848 -0.532 . . . . 0.0 112.944 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -74.14 -49.9 21.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.184 0.994 . . . . 0.0 110.833 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.79 -32.82 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.295 0.952 . . . . 0.0 111.829 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -57.47 -51.86 67.73 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.094 0.861 . . . . 0.0 111.209 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -62.32 -40.22 95.62 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.086 0.954 . . . . 0.0 112.768 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -65.46 -26.33 67.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.956 -1.09 . . . . 0.0 113.442 175.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -92.7 12.66 22.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 0.0 112.973 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.74 78.62 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.796 1.189 . . . . 0.0 115.0 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -81.65 146.31 30.12 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.608 1.204 . . . . 0.0 109.693 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -122.16 36.91 0.29 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -67.99 150.71 78.02 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.258 1.972 . . . . 0.0 110.997 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -73.62 167.95 20.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.754 1.222 . . . . 0.0 111.423 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.11 -38.36 68.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.763 0.825 . . . . 0.0 111.844 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.143 0.977 . . . . 0.0 112.389 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.3 -33.89 73.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.713 0.805 . . . . 0.0 111.736 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -50.9 68.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.809 0.844 . . . . 0.0 110.814 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -62.95 -37.42 86.98 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.391 0.542 . . . . 0.0 112.039 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.59 -31.5 68.1 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.889 1.276 . . . . 0.0 113.438 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -82.74 -43.54 16.67 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.621 0.768 . . . . 0.0 111.547 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.4 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.178 0.991 . . . . 0.0 110.78 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -20.82 66.22 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -79.55 -48.29 14.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.417 1.087 . . . . 0.0 111.152 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.64 -30.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.346 0.976 . . . . 0.0 113.438 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.15 25.93 7.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.221 1.408 . . . . 0.0 112.835 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.26 63.51 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.634 1.173 . . . . 0.0 114.008 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.6 -7.37 58.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.166 1.387 . . . . 0.0 113.976 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.95 28.7 44.8 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.787 1.184 . . . . 0.0 114.697 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.25 -36.71 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.604 1.161 . . . . 0.0 112.686 -176.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.99 5.56 89.63 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.484 1.516 . . . . 0.0 113.527 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -143.67 159.12 43.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.431 1.892 . . . . 0.0 112.208 -170.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mt -129.91 127.46 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.852 1.661 . . . . 0.0 109.371 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -84.65 153.76 22.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.656 1.583 . . . . 0.0 111.589 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 23.3 t80 -51.15 -53.02 53.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -171.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.49 -28.75 53.58 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.326 2.018 . . . . 0.0 113.216 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -73.14 -37.34 66.65 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.926 0.89 . . . . 0.0 111.838 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -61.76 -44.72 96.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.402 1.081 . . . . 0.0 111.264 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.2 -23.68 67.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -57.76 -38.02 74.67 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.343 0.974 . . . . 0.0 111.539 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.0 mtt -66.06 -31.9 73.05 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.795 -0.566 . . . . 0.0 112.348 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -81.94 -37.8 26.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.894 1.278 . . . . 0.0 112.199 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 125.069 1.348 . . . . 0.0 111.948 175.055 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.86 -33.56 14.89 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.56 1.544 . . . . 0.0 112.164 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.54 -41.73 75.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.689 0.795 . . . . 0.0 111.447 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.36 -26.84 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.495 0.718 . . . . 0.0 111.21 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -57.34 -37.99 73.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.785 1.234 . . . . 0.0 113.901 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.6 -35.7 78.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.845 0.858 . . . . 0.0 112.049 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.32 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.536 0.734 . . . . 0.0 111.839 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.16 -38.86 78.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.843 -0.535 . . . . 0.0 112.027 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -65.03 -32.46 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.88 -23.67 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.303 1.41 . . . . 0.0 113.363 172.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -89.54 -9.47 49.8 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.025 0.93 . . . . 0.0 112.991 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -78.94 130.48 35.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.7 1.6 . . . . 0.0 109.865 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.22 -13.24 60.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.4 -17.08 0.48 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.7 41.69 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.735 1.16 . . . . 0.0 112.474 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.27 -18.51 61.21 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.748 1.619 . . . . 0.0 114.243 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.05 50.17 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 125.241 1.401 . . . . 0.0 113.578 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.02 149.52 46.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.039 1.336 . . . . 0.0 113.805 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -138.52 158.91 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 126.803 2.041 . . . . 0.0 109.787 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 t -70.07 140.95 52.86 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.08 -1.012 . . . . 0.0 112.122 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.14 75.27 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.434 -0.791 . . . . 0.0 112.344 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.73 75.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.428 0.691 . . . . 0.0 111.177 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.45 -44.95 93.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.476 0.71 . . . . 0.0 110.722 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.04 -41.74 88.6 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.972 0.806 . . . . 0.0 111.483 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -64.36 -41.54 96.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.841 0.746 . . . . 0.0 112.056 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -72.98 -46.41 52.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.126 0.97 . . . . 0.0 113.007 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.27 -26.84 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.323 -1.486 . . . . 0.0 111.946 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.5 mmt -74.54 -16.65 60.82 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.4 p -109.2 -24.64 11.03 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.564 1.074 . . . . 0.0 112.649 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -91.21 -42.39 10.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.21 137.34 34.41 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.771 1.228 . . . . 0.0 110.872 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.24 -153.71 51.16 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.682 1.134 . . . . 0.0 113.403 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.36 163.02 19.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.474 0.71 . . . . 0.0 111.288 165.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.95 135.71 33.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.72 -1.238 . . . . 0.0 113.624 -172.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 tp -91.01 132.09 36.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 108.613 160.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -70.48 156.46 39.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.168 0.987 . . . . 0.0 110.42 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.36 -43.66 79.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.581 0.752 . . . . 0.0 111.703 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.25 -23.51 65.7 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.545 1.138 . . . . 0.0 113.354 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -83.72 -56.41 3.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.867 1.267 . . . . 0.0 109.907 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.02 -35.68 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.561 -0.712 . . . . 0.0 112.157 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -67.15 -30.68 70.73 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.418 1.008 . . . . 0.0 111.539 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.83 -36.11 42.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.206 1.002 . . . . 0.0 111.896 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttm -55.33 -44.62 76.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.737 0.815 . . . . 0.0 110.909 168.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.2 mm -70.3 -42.74 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.401 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -54.21 -41.74 68.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.44 1.018 . . . . 0.0 112.837 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.82 -5.46 59.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.34 -45.16 6.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 112.581 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.861 1.664 . . . . 0.0 113.575 -173.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 CA-C-O 119.935 -0.37 . . . . 0.0 113.76 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -99.07 131.26 45.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.227 1.411 . . . . 0.0 110.186 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.8 124.47 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.292 1.837 . . . . 0.0 108.836 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -78.63 92.71 4.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 163.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -68.38 -26.35 65.53 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.296 -0.878 . . . . 0.0 113.117 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.513 0.725 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.49 -35.21 18.33 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.54 0.736 . . . . 0.0 112.312 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.9 -43.32 98.69 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.284 -0.885 . . . . 0.0 112.516 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -34.08 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.134 0.574 . . . . 0.0 112.351 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.01 -36.38 79.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.597 0.759 . . . . 0.0 110.948 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.4 mtm -69.95 -47.09 63.74 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -79.7 -19.34 49.17 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.485 1.295 0 CA-C-N 119.807 1.185 . . . . 0.0 112.768 170.183 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.3 mp0 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.15 78.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.468 1.107 . . . . 0.0 111.276 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.3 m -81.72 -26.85 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.018 0.927 . . . . 0.0 112.543 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 41.7 m -64.64 -46.16 83.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.013 0.925 . . . . 0.0 112.537 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.98 -39.83 59.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.562 0.745 . . . . 0.0 112.349 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.1 mtm -66.71 -20.07 65.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.388 1.075 . . . . 0.0 113.861 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.0 t -73.24 -35.96 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.69 1.132 . . . . 0.0 111.121 176.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.64 -39.33 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.937 0.895 . . . . 0.0 110.058 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.92 -49.1 76.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.035 0.934 . . . . 0.0 112.006 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -64.25 -33.73 76.48 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.051 0.841 . . . . 0.0 112.942 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.82 70.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.866 0.866 . . . . 0.0 111.442 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.73 -38.95 93.03 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.626 0.771 . . . . 0.0 112.28 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.25 -38.25 81.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.626 0.771 . . . . 0.0 112.894 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -66.33 -36.88 84.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.871 0.869 . . . . 0.0 111.69 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.74 0.816 . . . . 0.0 111.51 170.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 123.826 0.85 . . . . 0.0 113.27 178.51 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -108.17 160.02 16.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.255 1.022 . . . . 0.0 112.55 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.97 -35.02 72.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.802 0.841 . . . . 0.0 112.931 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.08 -21.59 63.13 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -82.45 -45.64 14.5 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.347 -0.846 . . . . 0.0 110.448 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -55.84 -37.68 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.253 1.421 . . . . 0.0 111.636 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -25.35 68.34 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.037 . . . . 0.0 113.612 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.23 -43.29 10.5 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.284 1.034 . . . . 0.0 111.186 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.75 -26.97 68.89 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.16 -37.87 75.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.462 0.705 . . . . 0.0 112.422 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.46 -40.38 81.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.286 0.634 . . . . 0.0 111.448 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.17 74.89 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.982 0.513 . . . . 0.0 112.326 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.53 -39.03 88.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.85 0.86 . . . . 0.0 111.763 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.6 t -65.79 -26.65 67.79 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -23.03 61.44 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.866 -1.146 . . . . 0.0 112.421 178.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.478 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.4 m-85 -94.76 -6.5 42.89 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.415 1.886 . . . . 0.0 113.407 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.98 71.17 9.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.363 1.465 . . . . 0.0 109.96 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.21 -22.21 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.73 -21.61 37.83 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 9.39 86.82 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.802 1.191 . . . . 0.0 114.181 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.2 -10.34 50.12 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.721 1.608 . . . . 0.0 113.478 -174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.84 19.44 31.5 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.139 1.352 . . . . 0.0 113.92 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -131.92 158.65 40.84 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.798 1.639 . . . . 0.0 111.518 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -120.98 161.82 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.639 1.176 . . . . 0.0 110.755 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 p -80.41 155.43 27.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.665 0.786 . . . . 0.0 111.29 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -61.4 -30.03 70.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 0.0 112.326 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.54 -34.02 77.28 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.35 1.06 . . . . 0.0 113.25 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -88.27 -9.95 51.23 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.342 1.057 . . . . 0.0 113.481 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.55 -48.01 72.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.765 0.826 . . . . 0.0 111.239 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -24.9 67.86 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.005 0.812 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -76.03 -42.71 47.02 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.324 1.45 . . . . 0.0 110.959 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.5 t -63.29 -39.61 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.015 0.825 . . . . 0.0 111.055 172.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.1 mmt -58.28 -55.12 39.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.827 0.851 . . . . 0.0 111.725 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -67.08 -28.54 68.27 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -67.51 -25.84 66.05 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.22 7.28 46.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.714 2.005 . . . . 0.0 112.923 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.72 8.0 85.15 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.14 1.352 . . . . 0.0 115.319 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -92.49 123.48 35.83 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.018 1.409 . . . . 0.0 109.278 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.48 81.94 18.57 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.971 0.908 . . . . 0.0 111.307 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.53 160.49 38.36 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.392 2.728 . . . . 0.0 111.496 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -73.3 169.13 17.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.786 0.834 . . . . 0.0 110.381 163.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.57 -36.73 72.08 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.695 -0.628 . . . . 0.0 111.91 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.74 59.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.055 0.942 . . . . 0.0 112.249 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -31.13 69.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.871 0.868 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.63 -49.14 67.23 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.73 -36.54 81.27 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.357 0.663 . . . . 0.0 112.059 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.63 -37.11 82.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.926 1.291 . . . . 0.0 113.315 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.8 mtm -72.58 -43.4 63.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.517 0.599 . . . . 0.0 111.29 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.72 -58.88 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.942 0.897 . . . . 0.0 111.181 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -64.84 -18.21 64.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.918 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.81 -28.57 62.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.63 1.172 . . . . 0.0 112.706 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 m -102.49 -30.45 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.44 1.018 . . . . 0.0 113.542 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -91.21 26.71 2.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.917 1.687 . . . . 0.0 112.191 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.28 -23.28 66.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.839 1.256 . . . . 0.0 113.746 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.54 -9.59 59.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.188 1.395 . . . . 0.0 113.676 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.2 16.85 70.78 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.843 1.211 . . . . 0.0 115.166 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.84 -27.22 65.64 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.844 1.322 . . . . 0.0 114.246 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.89 7.6 87.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.209 1.385 . . . . 0.0 113.461 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -140.17 154.9 47.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.585 1.954 . . . . 0.0 110.824 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.9 mt -121.94 130.24 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.802 1.641 . . . . 0.0 108.696 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -92.99 153.37 18.78 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.268 1.427 . . . . 0.0 110.631 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.72 -49.29 84.06 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.93 -23.59 54.35 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.267 1.978 . . . . 0.0 113.863 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.99 -43.4 44.62 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.75 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -39.26 73.21 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.331 1.052 . . . . 0.0 111.685 168.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.62 -25.56 63.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.09 -1.006 . . . . 0.0 113.58 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.6 m -66.55 -44.34 82.61 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.63 1.105 . . . . 0.0 111.243 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -71.61 -13.1 61.66 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -82.67 -48.02 11.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.325 1.05 . . . . 0.0 110.476 169.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.421 0 C-N-CA 125.439 1.496 . . . . 0.0 113.688 -176.269 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.24 -46.66 73.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.444 0.698 . . . . 0.0 110.635 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.28 -41.12 96.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.024 0.53 . . . . 0.0 111.1 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.41 -42.27 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.417 1.087 . . . . 0.0 111.353 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -74.79 -43.3 55.45 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.939 0.791 . . . . 0.0 112.335 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.99 -20.43 65.88 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.809 -1.182 . . . . 0.0 113.177 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.95 -19.67 65.3 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 171.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -85.13 -27.51 26.17 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.425 1.012 . . . . 0.0 113.3 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -69.31 -26.19 64.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.7 -14.52 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 169.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.03 7.89 30.05 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.814 1.646 . . . . 0.0 112.812 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -154.3 65.95 0.7 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.735 2.014 . . . . 0.0 109.886 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.15 -11.94 61.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -172.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -76.3 -17.63 59.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.272 1.429 . . . . 0.0 112.7 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 22.16 72.19 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.701 1.143 . . . . 0.0 114.421 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.46 -28.17 67.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.862 1.265 . . . . 0.0 114.063 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 4.91 61.32 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.42 1.486 . . . . 0.0 113.938 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -134.03 150.59 51.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.049 1.339 . . . . 0.0 113.288 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 pt -140.92 156.06 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.469 1.908 . . . . 0.0 110.356 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m -74.21 143.61 45.08 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.477 -0.764 . . . . 0.0 112.005 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.12 79.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.622 -0.673 . . . . 0.0 112.35 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.81 76.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.392 1.077 . . . . 0.0 113.009 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.4 -48.1 57.72 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.725 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 tp -58.59 -47.49 84.11 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.718 -0.614 . . . . 0.0 110.882 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.7 ttp-105 -56.58 -39.51 73.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.242 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.54 -45.24 84.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.421 -0.8 . . . . 0.0 112.73 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -54.91 -51.0 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.365 1.438 . . . . 0.0 110.13 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -20.37 65.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.0 p -114.39 -14.39 12.2 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -107.09 -51.68 2.88 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.573 1.079 . . . . 0.0 112.955 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -88.0 143.81 26.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.687 1.195 . . . . 0.0 112.293 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.06 -157.14 46.83 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.321 1.439 . . . . 0.0 113.511 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.52 146.38 50.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.178 0.591 . . . . 0.0 109.952 162.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -91.29 148.34 22.41 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.3 tp -88.24 140.33 29.59 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.92 1.288 . . . . 0.0 109.275 166.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -70.45 155.89 40.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.247 1.019 . . . . 0.0 110.792 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.55 -40.44 68.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.746 1.218 . . . . 0.0 113.074 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.21 -39.45 68.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.752 0.821 . . . . 0.0 112.075 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -66.85 -46.47 74.96 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.063 1.345 . . . . 0.0 110.917 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.16 -32.79 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.371 0.987 . . . . 0.0 112.086 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.28 -43.85 89.85 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 171.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.85 -38.79 92.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.914 0.886 . . . . 0.0 111.662 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttm -58.68 -52.52 65.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.641 0.776 . . . . 0.0 111.081 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.0 mm -65.42 -40.09 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -54.48 -44.09 72.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.141 0.976 . . . . 0.0 112.057 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.84 -24.12 41.52 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.44 -43.15 9.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.791 1.236 . . . . 0.0 113.655 -172.563 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.35 0 N-CA-C 114.661 0.624 . . . . 0.0 114.661 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -122.33 143.66 49.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.991 1.716 . . . . 0.0 111.1 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.37 126.68 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.52 1.928 . . . . 0.0 108.489 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.02 100.72 9.89 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 160.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -71.53 -26.27 62.58 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.08 -54.9 41.82 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 111.619 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.65 -23.38 59.85 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.763 -0.586 . . . . 0.0 112.347 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.17 -38.43 91.16 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.148 -0.97 . . . . 0.0 111.838 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.87 -40.84 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.906 0.775 . . . . 0.0 111.723 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.9 -32.46 73.98 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.617 0.644 . . . . 0.0 111.701 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.4 mtm -70.71 -39.66 73.31 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.352 -0.843 . . . . 0.0 112.35 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.34 -35.44 79.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.477 0.891 0 CA-C-N 119.012 0.824 . . . . 0.0 112.341 175.23 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 55.1 mp0 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.808 0.843 . . . . 0.0 112.446 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.4 m -86.61 -32.49 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.9 m -62.82 -38.81 92.22 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.387 -0.821 . . . . 0.0 112.181 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.33 14.24 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.439 1.495 . . . . 0.0 114.093 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.6 mtm -85.67 -24.53 27.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.771 1.228 . . . . 0.0 113.525 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 40.3 t -76.0 -30.88 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.106 0.866 . . . . 0.0 111.295 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.84 -42.05 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.883 0.873 . . . . 0.0 110.372 170.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -70.16 -34.24 72.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.069 0.948 . . . . 0.0 111.592 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -61.17 -20.98 63.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.689 1.596 . . . . 0.0 113.421 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.39 8.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.668 1.587 . . . . 0.0 112.468 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -65.59 -45.24 83.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -65.32 -34.87 79.35 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.998 -0.438 . . . . 0.0 111.755 175.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -67.59 -40.71 84.77 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.633 1.573 . . . . 0.0 112.104 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.03 -48.77 80.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.038 1.335 . . . . 0.0 112.298 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.47 0.555 0 C-N-CA 123.538 0.735 . . . . 0.0 112.04 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -89.7 156.91 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 111.793 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -57.75 -36.88 72.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.001 0.921 . . . . 0.0 112.384 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.7 -21.86 62.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.065 0.946 . . . . 0.0 113.449 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -82.28 -44.77 15.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.963 0.802 . . . . 0.0 110.328 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.25 -38.2 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.32 1.048 . . . . 0.0 111.775 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.78 67.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.201 1.0 . . . . 0.0 113.196 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.19 -44.69 11.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.805 0.842 . . . . 0.0 111.39 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -66.97 -27.17 67.24 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.629 -0.67 . . . . 0.0 112.523 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.87 -41.13 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.127 0.971 . . . . 0.0 112.815 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.64 -40.87 84.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.594 0.758 . . . . 0.0 111.704 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.78 82.28 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.767 -0.583 . . . . 0.0 112.557 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.01 -36.32 82.96 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.781 0.832 . . . . 0.0 111.799 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 t -61.23 -32.25 72.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -19.45 60.5 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.022 -1.049 . . . . 0.0 113.387 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.54 -13.57 21.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.455 1.502 . . . . 0.0 112.993 173.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.96 62.19 1.59 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.172 1.789 . . . . 0.0 110.435 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.59 -16.3 61.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.458 1.503 . . . . 0.0 113.28 -171.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.67 -20.92 35.26 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.644 1.578 . . . . 0.0 113.311 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 8.72 86.97 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.658 1.599 . . . . 0.0 114.463 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.04 -11.28 39.26 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.474 1.509 . . . . 0.0 113.67 -172.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 23.44 16.54 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.17 1.366 . . . . 0.0 113.877 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -135.07 144.16 47.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.909 1.684 . . . . 0.0 111.706 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -105.84 160.99 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.34 1.056 . . . . 0.0 109.724 165.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -78.02 154.43 31.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.158 0.435 . . . . 0.0 110.398 163.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -58.09 -30.63 66.39 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.367 1.067 . . . . 0.0 112.488 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.68 -32.5 74.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.813 1.245 . . . . 0.0 113.199 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.43 -8.9 58.15 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.826 0.85 . . . . 0.0 112.76 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.7 -48.35 81.17 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.52 -1.362 . . . . 0.0 112.022 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.21 63.3 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 118.941 -0.922 . . . . 0.0 112.691 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -81.55 -43.28 18.95 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.969 1.708 . . . . 0.0 111.481 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.54 -33.54 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.385 1.448 . . . . 0.0 111.876 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.2 mtp -68.83 -31.43 70.4 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.68 -0.637 . . . . 0.0 112.406 173.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -74.22 -34.76 63.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.247 -0.908 . . . . 0.0 112.501 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -66.06 -28.75 69.08 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.352 -0.842 . . . . 0.0 112.724 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.78 0.41 54.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.611 1.564 . . . . 0.0 112.995 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.34 12.09 82.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.392 1.472 . . . . 0.0 115.51 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.31 -37.88 31.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.799 1.299 . . . . 0.0 111.85 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 55.67 56.49 10.19 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 126.273 1.829 . . . . 0.0 112.614 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.34 141.12 46.02 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.8 2.333 . . . . 0.0 111.309 -169.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -63.55 146.6 53.37 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.547 1.139 . . . . 0.0 109.947 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.74 -41.12 90.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.715 0.806 . . . . 0.0 112.8 -170.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.94 84.76 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -69.25 -44.96 70.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.191 0.997 . . . . 0.0 110.753 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.04 -51.79 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.333 1.453 . . . . 0.0 111.367 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.19 -37.42 87.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.005 0.366 . . . . 0.0 111.974 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.51 -31.35 72.02 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.931 -1.106 . . . . 0.0 112.984 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.63 -37.9 70.82 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.335 0.654 . . . . 0.0 111.133 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.61 -45.96 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 109.809 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.48 -29.32 64.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.28 -51.43 37.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.709 0.804 . . . . 0.0 111.054 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.7 -24.09 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -103.02 23.36 12.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.859 1.664 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.0 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -89.31 -4.92 57.93 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.636 1.575 . . . . 0.0 113.875 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.97 25.71 59.49 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.595 1.093 . . . . 0.0 114.496 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -62.2 -34.7 76.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.616 1.166 . . . . 0.0 113.838 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.83 89.32 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 126.149 1.833 . . . . 0.0 113.659 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.0 p -138.25 159.5 41.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.919 1.688 . . . . 0.0 112.48 -170.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.68 127.75 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.505 1.922 . . . . 0.0 107.587 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.02 163.02 17.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.032 0.933 . . . . 0.0 112.428 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -57.21 -51.63 80.2 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-O 116.673 -1.632 . . . . 0.0 114.547 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 -30.72 46.82 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 122.135 1.798 . . . . 0.0 113.486 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.47 -40.44 85.3 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.484 1.493 . . . . 0.0 112.087 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -60.1 -45.69 92.12 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.5 0.72 . . . . 0.0 111.754 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.2 -31.67 72.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.646 0.778 . . . . 0.0 112.86 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -70.91 -31.16 67.7 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -67.52 -49.23 64.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.267 0.939 . . . . 0.0 111.125 166.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mmm -59.67 -40.91 89.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.499 1.12 . . . . 0.0 113.186 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 125.652 1.581 . . . . 0.0 113.714 178.389 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.28 -33.26 69.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.458 0.703 . . . . 0.0 112.711 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -71.15 -38.93 72.2 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.598 -0.689 . . . . 0.0 110.532 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.98 -45.07 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.98 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -61.91 -43.94 97.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.616 . . . . 0.0 112.593 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.48 -32.59 74.29 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.26 0.624 . . . . 0.0 112.529 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.51 87.57 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.12 -0.987 . . . . 0.0 111.979 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -69.19 -35.92 76.76 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -69.8 -32.76 71.4 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.394 0.677 . . . . 0.0 112.738 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.91 -31.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.072 -1.018 . . . . 0.0 111.283 168.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.12 9.93 31.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.832 1.253 . . . . 0.0 114.094 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -143.32 66.87 1.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.07 1.748 . . . . 0.0 110.403 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -63.98 -14.09 51.3 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.66 -17.16 52.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.34 1.456 . . . . 0.0 113.162 173.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.32 23.19 76.32 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.423 1.011 . . . . 0.0 113.858 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -68.46 -26.22 65.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.735 1.214 . . . . 0.0 114.128 -175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.18 69.83 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.48 1.514 . . . . 0.0 113.797 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.29 151.61 45.23 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.78 1.632 . . . . 0.0 112.036 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.64 160.58 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.407 1.883 . . . . 0.0 109.601 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -74.01 146.46 43.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.594 -1.316 . . . . 0.0 111.695 173.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.17 84.34 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.978 -1.076 . . . . 0.0 112.238 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.16 73.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.6 0.76 . . . . 0.0 111.619 173.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.51 -46.97 85.99 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.611 1.164 . . . . 0.0 111.154 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.78 96.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.953 0.901 . . . . 0.0 111.03 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -59.15 -42.68 91.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.328 0.513 . . . . 0.0 111.679 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -69.93 -46.34 65.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.956 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -22.34 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.849 -1.157 . . . . 0.0 112.116 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.77 -18.45 54.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.908 2.083 . . . . 0.0 114.559 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.5 p -116.74 13.95 15.22 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.961 1.304 . . . . 0.0 114.232 -172.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -4.12 0.76 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.01 145.12 51.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.395 1.478 . . . . 0.0 111.144 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.38 -79.99 1.03 Allowed Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.5 1.048 . . . . 0.0 111.542 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.59 149.38 27.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.922 2.089 . . . . 0.0 108.257 164.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -74.47 116.13 14.8 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.34 -0.85 . . . . 0.0 111.223 -174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.81 139.51 56.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.803 1.241 . . . . 0.0 110.313 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.5 150.66 48.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.479 1.112 . . . . 0.0 110.734 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.59 -39.18 90.28 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.14 -28.77 67.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.904 0.882 . . . . 0.0 112.831 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.81 -53.34 8.04 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.817 0.847 . . . . 0.0 109.631 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.61 -32.83 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.617 -0.677 . . . . 0.0 112.243 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.86 -36.92 85.52 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.06 -1.025 . . . . 0.0 111.728 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.34 -35.44 63.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.754 0.422 . . . . 0.0 111.638 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.5 ttm -57.52 -39.61 76.94 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 111.688 171.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mm -71.37 -44.65 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.186 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -57.05 -42.79 81.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.884 1.22 . . . . 0.0 111.908 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -74.98 -8.77 57.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.17 -43.3 7.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 112.186 171.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 114.21 -176.16 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.132 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -88.43 133.57 34.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.943 1.297 . . . . 0.0 109.146 160.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.6 t -92.61 125.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 127.266 2.226 . . . . 0.0 108.721 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -77.97 87.91 4.14 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -67.57 -27.28 66.8 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.252 -0.905 . . . . 0.0 113.104 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.59 -44.75 95.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.303 0.641 . . . . 0.0 111.277 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -69.77 -38.52 76.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.395 0.678 . . . . 0.0 111.565 171.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -62.04 -34.75 76.81 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.41 -50.06 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.11 0.868 . . . . 0.0 110.742 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -72.67 -26.95 61.81 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.608 0.763 . . . . 0.0 112.517 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -75.63 -35.23 60.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.668 0.667 . . . . 0.0 112.421 171.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.0 ttp -78.33 -31.92 48.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.591 1.156 . . . . 0.0 113.482 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.781 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.43 -45.59 75.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.569 0.748 . . . . 0.0 111.533 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.9 m -72.19 -30.95 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.907 0.776 . . . . 0.0 112.258 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.6 m -63.2 -44.14 96.17 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.146 -0.971 . . . . 0.0 111.804 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.22 70.81 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.5 mtm -75.86 -47.09 26.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.683 0.793 . . . . 0.0 112.352 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.2 t -62.6 -37.83 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.253 1.021 . . . . 0.0 111.887 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.53 -49.79 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.611 0.641 . . . . 0.0 111.638 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -75.7 -25.81 56.99 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -56.83 -49.75 74.48 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.136 0.975 . . . . 0.0 110.727 169.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.45 94.64 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.799 0.84 . . . . 0.0 112.249 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.36 -41.22 94.05 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.775 0.43 . . . . 0.0 112.026 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.95 -34.25 73.18 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.409 -0.807 . . . . 0.0 112.639 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -60.56 -47.27 86.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.615 1.166 . . . . 0.0 110.616 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.4 -47.96 83.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.407 1.083 . . . . 0.0 112.73 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 124.045 0.938 . . . . 0.0 112.497 175.547 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -91.62 162.63 14.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.27 -36.52 82.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.53 0.732 . . . . 0.0 112.35 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.89 -26.61 60.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.49 -48.83 53.84 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 118.591 0.632 . . . . 0.0 110.591 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.13 -41.8 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.276 1.03 . . . . 0.0 111.284 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -26.99 68.66 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.48 -45.52 14.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 110.575 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -65.96 -28.07 68.63 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.523 0.729 . . . . 0.0 112.344 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -54.29 -38.61 66.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 112.504 170.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.67 -27.15 37.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.537 1.135 . . . . 0.0 112.263 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.07 -35.4 59.42 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.408 -0.807 . . . . 0.0 111.923 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -71.89 -38.02 70.05 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.486 1.114 . . . . 0.0 112.675 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -67.76 -26.34 66.07 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.35 -22.13 61.94 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.404 -0.81 . . . . 0.0 113.103 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -96.81 -12.57 23.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.614 1.565 . . . . 0.0 113.109 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.07 58.55 2.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.783 1.633 . . . . 0.0 110.424 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -71.9 -21.51 61.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.666 1.186 . . . . 0.0 113.032 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.33 -19.29 39.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.063 1.345 . . . . 0.0 113.102 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.68 7.3 87.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.852 1.215 . . . . 0.0 115.186 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.91 -13.2 56.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.134 1.374 . . . . 0.0 113.967 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 18.54 32.06 Favored Glycine 0 N--CA 1.473 1.123 0 C-N-CA 125.063 1.316 . . . . 0.0 113.856 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -127.66 155.73 43.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.465 1.906 . . . . 0.0 111.458 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 pt -113.55 160.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 109.675 162.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -78.46 159.6 28.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.303 0.573 . . . . 0.0 111.481 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 p -61.66 -29.92 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.071 0.949 . . . . 0.0 112.474 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -73.15 -32.95 65.21 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.21 -13.72 59.52 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.0 0.92 . . . . 0.0 113.433 175.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.3 -48.37 74.2 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.243 0.929 . . . . 0.0 110.679 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.7 -25.27 71.62 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 121.588 -0.695 . . . . 0.0 113.31 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -79.02 -43.05 25.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.79 1.236 . . . . 0.0 111.437 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.05 -30.94 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.316 0.962 . . . . 0.0 112.111 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -60.92 -49.35 77.8 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.361 0.982 . . . . 0.0 111.52 169.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.59 -35.06 79.25 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.981 0.913 . . . . 0.0 112.69 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.3 m -68.37 -27.54 66.33 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.07 -1.019 . . . . 0.0 113.467 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.6 4.8 48.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.419 1.488 . . . . 0.0 112.881 170.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.4 8.63 80.71 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.489 1.518 . . . . 0.0 115.243 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.51 141.46 28.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.113 1.457 . . . . 0.0 111.346 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -133.54 64.56 68.89 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.207 1.403 . . . . 0.0 113.107 -172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -67.05 161.63 41.8 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.512 2.808 . . . . 0.0 111.3 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.7 p -69.21 165.78 19.74 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.776 0.431 . . . . 0.0 110.892 168.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.33 -36.8 73.94 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.86 -44.83 69.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.008 0.923 . . . . 0.0 112.452 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -65.45 -40.02 92.72 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.69 0.677 . . . . 0.0 111.49 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.03 -49.54 74.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.161 0.984 . . . . 0.0 110.907 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -42.31 91.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.926 0.891 . . . . 0.0 111.59 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.96 -35.51 80.14 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.293 -0.88 . . . . 0.0 113.226 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.04 -36.63 83.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.301 0.955 . . . . 0.0 111.379 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.3 mt -64.56 -49.6 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.796 0.839 . . . . 0.0 109.893 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -57.23 -29.93 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -75.28 -12.14 60.21 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.02 -24.65 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -126.81 54.71 1.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.684 1.594 . . . . 0.0 110.222 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.92 68.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.213 1.405 . . . . 0.0 113.603 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.46 -10.6 58.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.478 1.511 . . . . 0.0 113.675 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.55 40.79 26.5 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.586 1.088 . . . . 0.0 114.321 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -68.41 -25.33 64.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.293 1.047 . . . . 0.0 113.262 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.67 5.2 75.01 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 125.385 1.469 . . . . 0.0 114.19 -177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.0 p -141.24 151.54 43.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.074 1.75 . . . . 0.0 111.859 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.53 128.65 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.443 1.897 . . . . 0.0 108.462 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.87 158.67 18.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 0.0 110.531 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.91 -47.46 86.5 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -172.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.46 -26.8 23.91 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.828 2.046 . . . . 0.0 113.12 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.78 -43.69 71.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.676 1.125 . . . . 0.0 111.028 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -59.21 -38.17 79.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.972 0.909 . . . . 0.0 111.874 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.59 -26.24 61.62 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.064 -1.022 . . . . 0.0 113.473 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -64.21 -48.72 74.77 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.545 1.066 . . . . 0.0 110.608 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -65.88 -19.59 65.93 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.63 -41.31 21.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.327 1.051 . . . . 0.0 112.407 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.192 0.997 . . . . 0.0 112.344 177.784 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.46 -27.68 68.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 112.239 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.97 -39.04 79.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.321 1.049 . . . . 0.0 111.377 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -77.62 -37.73 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.79 1.236 . . . . 0.0 110.367 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -61.75 -39.7 92.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -63.86 -34.36 77.76 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.005 0.821 . . . . 0.0 111.999 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.0 92.93 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.521 -0.737 . . . . 0.0 112.176 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -69.68 -36.4 75.97 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.546 -0.721 . . . . 0.0 112.709 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -63.14 -35.07 79.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.003 0.921 . . . . 0.0 111.889 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.7 -39.0 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.0 1.32 . . . . 0.0 111.797 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -80.91 -21.55 40.46 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -71.99 113.37 8.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.189 0.904 . . . . 0.0 110.13 168.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -83.68 -9.12 59.08 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.19 -25.05 5.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.765 1.226 . . . . 0.0 113.407 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.97 19.47 57.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.141 1.353 . . . . 0.0 113.221 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.15 -18.91 61.85 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.209 1.404 . . . . 0.0 113.811 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.06 13.91 56.96 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.658 1.599 . . . . 0.0 113.413 -174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -140.68 152.8 45.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.594 1.558 . . . . 0.0 112.613 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -124.18 164.82 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.748 1.619 . . . . 0.0 109.211 164.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -85.03 153.63 22.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.352 -1.467 . . . . 0.0 111.48 169.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.42 70.55 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.014 -1.054 . . . . 0.0 112.148 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.85 77.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.194 0.998 . . . . 0.0 112.398 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.73 -50.31 74.35 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.604 0.762 . . . . 0.0 110.183 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.35 -43.54 83.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.105 0.962 . . . . 0.0 111.85 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -29.1 69.78 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.581 1.153 . . . . 0.0 113.232 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -88.32 -51.96 5.46 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.112 -0.993 . . . . 0.0 112.771 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.68 -21.01 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.077 1.351 . . . . 0.0 113.572 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.5 mmt -90.3 -18.54 25.41 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.7 p -106.77 -20.6 13.29 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.592 1.087 . . . . 0.0 113.739 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.87 -9.53 24.12 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 mt -124.87 159.7 30.49 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.106 1.763 . . . . 0.0 112.307 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.51 -139.44 31.92 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.847 1.213 . . . . 0.0 113.741 167.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -89.68 71.39 7.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.296 1.438 . . . . 0.0 107.772 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -35.27 125.2 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.821 2.449 . . . . 0.0 114.862 -162.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.71 133.46 48.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.154 1.382 . . . . 0.0 110.673 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -76.14 157.97 32.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.982 1.313 . . . . 0.0 110.701 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.76 -44.63 63.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.87 1.268 . . . . 0.0 113.13 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 -27.01 63.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.064 0.946 . . . . 0.0 112.94 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -80.62 -46.96 14.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.342 1.057 . . . . 0.0 110.714 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.83 -33.84 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.443 1.02 . . . . 0.0 112.082 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.97 -41.69 97.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.237 0.615 . . . . 0.0 111.748 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.84 -40.16 63.5 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.344 0.658 . . . . 0.0 111.671 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.7 ttm -52.63 -47.32 67.13 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.074 0.95 . . . . 0.0 111.499 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.6 mt -80.01 -34.29 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.776 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -56.18 -37.46 69.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.923 1.238 . . . . 0.0 111.188 170.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.64 -8.42 59.71 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.16 -46.61 4.79 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.107 1.321 . . . . 0.0 113.11 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.548 0.882 0 C-N-CA 125.525 1.53 . . . . 0.0 114.031 -172.217 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.13 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -86.44 140.4 30.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.356 1.062 . . . . 0.0 109.029 160.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.32 121.03 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.178 1.791 . . . . 0.0 108.866 -176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -81.26 77.39 8.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.887 1.275 . . . . 0.0 110.446 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -53.5 -26.46 20.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.077 1.351 . . . . 0.0 114.603 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.54 -40.52 79.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.966 0.906 . . . . 0.0 112.045 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -73.55 -36.7 65.67 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.989 0.915 . . . . 0.0 111.189 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.21 -39.54 94.91 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.498 -0.751 . . . . 0.0 112.433 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.23 -40.2 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.531 0.605 . . . . 0.0 111.546 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.66 -46.16 86.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.509 0.595 . . . . 0.0 110.548 175.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -64.84 -24.7 67.62 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mtm -72.92 -36.63 67.29 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.316 0.962 . . . . 0.0 113.26 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -166.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.38 -44.58 58.28 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.158 -0.964 . . . . 0.0 111.953 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -32.14 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.144 0.884 . . . . 0.0 111.193 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 73.3 m -61.31 -44.1 97.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.949 0.795 . . . . 0.0 111.749 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.85 84.12 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.559 -0.713 . . . . 0.0 111.011 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.2 mtm -60.81 -38.65 86.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.68 -46.82 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.273 0.942 . . . . 0.0 110.857 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.32 -38.48 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 0.0 111.618 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -59.21 -48.1 82.89 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.065 0.946 . . . . 0.0 110.96 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.82 -37.69 82.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.234 0.614 . . . . 0.0 112.565 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.06 84.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.857 0.863 . . . . 0.0 111.616 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.59 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.469 0.708 . . . . 0.0 111.899 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -66.77 -38.16 86.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.986 -1.071 . . . . 0.0 112.817 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -63.78 -36.37 83.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.346 0.976 . . . . 0.0 112.203 170.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 66.7 t60 -65.3 -44.37 88.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.663 0.785 . . . . 0.0 112.755 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.473 0.714 0 O-C-N 121.122 -0.986 . . . . 0.0 112.905 -177.114 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.7 mt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 p -103.55 163.01 12.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.197 1.799 . . . . 0.0 110.497 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.16 -35.0 74.35 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.06 -27.12 62.48 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.11 -42.71 31.12 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.697 0.681 . . . . 0.0 110.514 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.49 -43.26 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.091 0.957 . . . . 0.0 111.329 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.38 71.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.867 0.867 . . . . 0.0 113.252 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -76.42 -41.55 47.24 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.348 1.059 . . . . 0.0 111.258 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.53 -30.36 69.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.223 0.609 . . . . 0.0 112.5 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -59.19 -39.47 82.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.608 1.163 . . . . 0.0 112.514 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.26 -41.16 99.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.649 0.78 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.06 59.75 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.04 -39.4 94.61 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.145 0.978 . . . . 0.0 111.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -68.1 -17.22 64.31 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -30.14 56.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.626 1.103 . . . . 0.0 112.164 174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.69 -21.11 25.42 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 0.0 112.753 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -73.93 71.98 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 110.872 168.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -63.89 -25.92 68.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.844 1.658 . . . . 0.0 114.192 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.78 -15.97 31.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.754 1.622 . . . . 0.0 113.331 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 23.55 76.73 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.251 0.929 . . . . 0.0 113.386 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.95 -4.86 29.24 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.483 1.513 . . . . 0.0 113.701 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.82 13.38 56.73 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 124.9 1.238 . . . . 0.0 114.804 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 151.38 50.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.167 1.387 . . . . 0.0 112.974 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.65 166.19 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.746 1.618 . . . . 0.0 109.976 165.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 p -75.92 163.26 27.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.978 0.808 . . . . 0.0 112.313 168.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -60.83 -35.49 76.66 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.098 0.959 . . . . 0.0 111.724 167.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -61.25 -42.03 97.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.768 1.227 . . . . 0.0 112.963 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.86 -15.65 61.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.491 1.116 . . . . 0.0 113.439 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.31 -50.05 72.54 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.934 0.894 . . . . 0.0 110.572 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -17.94 68.43 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 118.843 -0.976 . . . . 0.0 113.872 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 m -86.03 -44.48 12.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.299 1.44 . . . . 0.0 110.954 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.13 -30.18 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 119.982 1.265 . . . . 0.0 112.741 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.9 mmt -57.97 -45.48 86.65 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.195 0.907 . . . . 0.0 111.187 167.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -74.71 -28.47 60.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.384 1.074 . . . . 0.0 113.215 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -31.19 72.02 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.007 0.923 . . . . 0.0 111.801 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.2 -1.36 57.37 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.798 1.639 . . . . 0.0 113.576 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.21 6.1 63.28 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 118.2 -1.334 . . . . 0.0 115.87 169.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -107.67 136.41 47.47 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.992 1.896 . . . . 0.0 111.239 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.92 85.91 12.59 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.182 1.393 . . . . 0.0 110.697 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.59 146.48 55.13 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.149 2.566 . . . . 0.0 110.493 174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -68.22 162.14 25.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.849 0.859 . . . . 0.0 110.575 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -54.4 -39.03 66.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.238 0.615 . . . . 0.0 112.271 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.62 -47.27 67.11 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.58 -31.86 70.28 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.603 0.638 . . . . 0.0 111.852 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.99 -48.52 65.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 111.191 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.11 -37.25 86.45 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.159 0.584 . . . . 0.0 111.375 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.39 -32.15 72.07 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.654 1.182 . . . . 0.0 113.16 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.5 mtm -77.9 -46.45 21.3 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.015 0.825 . . . . 0.0 111.654 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.03 -55.22 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.401 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -64.9 -20.42 66.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.153 0.888 . . . . 0.0 113.288 -171.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -76.46 -27.6 56.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.62 1.168 . . . . 0.0 113.167 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.91 -27.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.348 0.976 . . . . 0.0 113.3 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -90.2 26.21 1.96 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.308 1.443 . . . . 0.0 112.026 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.04 65.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.513 1.125 . . . . 0.0 113.768 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.09 -12.23 58.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.65 1.58 . . . . 0.0 113.635 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.35 14.01 77.41 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.282 1.42 . . . . 0.0 115.764 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -70.9 -22.94 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.56 9.24 83.6 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.204 1.383 . . . . 0.0 113.44 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 p -138.0 157.62 46.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.092 1.757 . . . . 0.0 111.915 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.3 mt -129.82 129.99 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.06 1.744 . . . . 0.0 108.179 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.78 156.21 17.16 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.45 1.1 . . . . 0.0 110.118 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.65 -47.31 79.02 Favored Pre-proline 0 CA--C 1.549 0.937 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -23.18 24.57 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.59 1.961 . . . . 0.0 113.2 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.09 -41.73 66.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.225 0.921 . . . . 0.0 110.76 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -62.82 -39.21 93.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 0.0 112.29 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -68.78 -31.41 70.4 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.971 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -63.38 -45.51 90.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.995 1.27 . . . . 0.0 111.617 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.3 -32.23 73.77 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.595 0.634 . . . . 0.0 112.411 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.6 mmm -71.74 -43.7 65.37 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.475 -0.766 . . . . 0.0 112.082 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 112.584 177.726 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.24 -30.28 70.14 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -68.62 -41.33 79.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.118 0.567 . . . . 0.0 110.186 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.28 -45.4 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.822 1.249 . . . . 0.0 110.084 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -61.12 -47.14 87.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.233 1.013 . . . . 0.0 112.434 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.22 -28.27 66.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.73 99.35 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.954 0.797 . . . . 0.0 111.058 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.92 -39.96 91.01 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.062 -0.399 . . . . 0.0 111.867 171.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -68.82 -24.96 64.45 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 t -61.02 -32.29 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.118 0.872 . . . . 0.0 112.313 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -91.27 -19.74 22.65 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -61.94 142.32 57.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.253 1.421 . . . . 0.0 111.598 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -80.77 -17.35 51.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.455 1.102 . . . . 0.0 113.64 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -151.93 -10.2 0.2 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -172.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.89 22.76 48.34 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.14 1.352 . . . . 0.0 112.424 -166.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -16.83 61.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.113 1.365 . . . . 0.0 114.643 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.2 6.08 57.89 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.419 1.485 . . . . 0.0 114.97 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -134.45 146.33 49.7 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.37 165.15 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 127.379 2.271 . . . . 0.0 109.935 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -75.93 150.07 37.59 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.294 -1.503 . . . . 0.0 112.625 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.21 76.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.087 -1.008 . . . . 0.0 112.747 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.73 71.71 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.596 0.759 . . . . 0.0 111.167 173.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.02 -47.07 88.16 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.129 1.372 . . . . 0.0 111.477 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.49 -29.73 70.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.717 0.689 . . . . 0.0 112.746 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -68.48 -49.58 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.433 1.015 . . . . 0.0 110.488 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -65.99 -44.03 86.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.981 0.912 . . . . 0.0 112.876 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.66 -20.05 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.24 1.016 . . . . 0.0 112.6 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.7 mmt -92.98 -25.08 18.15 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.096 1.759 . . . . 0.0 114.237 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.6 p -102.24 -6.51 23.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.879 1.272 . . . . 0.0 113.348 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -111.87 -61.02 1.77 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.456 1.102 . . . . 0.0 112.412 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.22 146.96 29.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.719 1.208 . . . . 0.0 112.039 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.82 44.37 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.948 0.785 . . . . 0.0 112.449 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -74.37 169.12 18.31 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 122.534 -0.392 . . . . 0.0 110.759 163.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -127.05 119.94 27.8 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.59 -0.693 . . . . 0.0 111.559 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -81.78 172.21 13.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.895 0.878 . . . . 0.0 112.092 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.36 150.09 46.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.862 1.665 . . . . 0.0 113.146 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.92 -27.59 67.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 113.195 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.17 -35.19 59.27 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.679 -0.638 . . . . 0.0 111.855 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -45.86 43.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.156 0.982 . . . . 0.0 110.742 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.19 -30.42 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.903 1.229 . . . . 0.0 111.767 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.34 -44.52 83.07 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.021 -1.049 . . . . 0.0 111.931 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.98 -41.0 95.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.246 0.618 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.6 ttm -55.77 -41.88 74.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.272 1.029 . . . . 0.0 111.639 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.55 -43.75 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.584 0.754 . . . . 0.0 112.056 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.464 1.029 . . . . 0.0 113.186 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.58 -12.19 60.0 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.35 -35.98 7.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.9 1.28 . . . . 0.0 112.921 172.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.826 2.051 . . . . 0.0 114.199 -177.062 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 N-CA-C 114.351 0.5 . . . . 0.0 114.351 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -99.06 143.39 29.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.13 1.372 . . . . 0.0 109.95 167.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.12 122.81 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 126.435 1.894 . . . . 0.0 108.249 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.16 94.68 4.12 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 162.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -73.2 -21.89 60.57 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.0 -41.57 98.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.286 0.634 . . . . 0.0 111.651 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.01 -26.58 39.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.663 0.785 . . . . 0.0 112.752 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.53 -27.32 68.88 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.833 -1.167 . . . . 0.0 113.12 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.7 -38.92 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.678 1.191 . . . . 0.0 112.081 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -66.3 -33.0 74.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.44 0.696 . . . . 0.0 111.644 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 mtt -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.697 0.799 . . . . 0.0 112.155 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.5 mtm -82.76 -26.1 32.19 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-N 119.613 1.097 . . . . 0.0 111.609 174.373 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 48.0 mp0 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.71 -44.51 73.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.171 0.588 . . . . 0.0 111.72 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.7 m -73.08 -28.55 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.718 0.69 . . . . 0.0 112.176 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -66.17 -44.27 84.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.461 1.028 . . . . 0.0 111.332 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.63 -27.16 66.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.533 1.133 . . . . 0.0 112.958 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 59.8 mtt -66.61 -42.27 87.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.595 0.758 . . . . 0.0 112.577 172.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 88.5 t -67.26 -37.67 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.095 0.862 . . . . 0.0 111.376 -169.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.11 -48.68 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.161 0.584 . . . . 0.0 110.857 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -74.96 -24.33 58.44 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -67.75 -44.12 78.28 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.601 1.091 . . . . 0.0 111.248 169.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.08 95.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.468 0.707 . . . . 0.0 111.954 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.7 -45.96 84.37 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -67.88 -36.64 80.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.251 0.932 . . . . 0.0 112.183 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.59 -34.16 77.58 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.809 1.243 . . . . 0.0 111.871 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.14 -47.15 65.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.565 1.146 . . . . 0.0 112.446 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 125.425 1.49 . . . . 0.0 112.292 177.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p -112.25 162.09 15.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.424 1.889 . . . . 0.0 111.35 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.52 -32.78 73.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.523 0.729 . . . . 0.0 112.65 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.93 -25.8 60.17 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.21 -45.41 56.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.173 0.897 . . . . 0.0 110.702 167.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -56.94 -38.45 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.402 0.681 . . . . 0.0 111.554 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -28.61 69.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.83 -39.91 15.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.2 1.0 . . . . 0.0 111.724 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -65.85 -29.11 69.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.491 0.716 . . . . 0.0 111.924 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.17 -43.58 95.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -65.9 -37.93 87.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.745 0.818 . . . . 0.0 112.025 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.26 67.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.383 0.673 . . . . 0.0 112.491 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.23 -40.98 98.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.329 1.051 . . . . 0.0 112.25 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 m -67.93 -15.68 63.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -30.07 63.7 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.045 1.293 . . . . 0.0 111.359 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -86.85 -21.75 26.2 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.295 1.438 . . . . 0.0 112.634 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -75.62 85.03 2.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.732 1.213 . . . . 0.0 110.749 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.78 -27.29 62.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.46 -15.91 29.95 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.66 1.184 . . . . 0.0 113.544 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.4 74.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.982 1.277 . . . . 0.0 113.862 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.73 -6.96 53.75 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.316 1.446 . . . . 0.0 114.002 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.06 53.04 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.324 1.44 . . . . 0.0 115.044 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.3 p -129.77 154.05 47.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.38 1.472 . . . . 0.0 112.467 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -117.83 160.25 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.375 1.47 . . . . 0.0 110.527 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 m -75.4 151.39 38.16 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.643 -0.661 . . . . 0.0 109.293 169.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 p -58.73 -30.87 67.81 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.579 1.152 . . . . 0.0 112.526 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.24 -27.27 68.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.176 1.79 . . . . 0.0 113.465 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.72 -7.97 55.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.919 1.288 . . . . 0.0 112.516 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.22 -49.3 78.38 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.058 0.943 . . . . 0.0 111.341 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.09 -25.44 68.1 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 121.666 -0.646 . . . . 0.0 113.341 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -76.72 -49.31 16.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.684 1.194 . . . . 0.0 110.919 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.14 -31.43 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.921 0.782 . . . . 0.0 112.382 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 mmt -56.37 -52.23 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.73 0.812 . . . . 0.0 111.316 166.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -62.19 -40.83 97.37 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.131 1.373 . . . . 0.0 112.548 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -66.58 -26.41 67.09 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.116 -0.99 . . . . 0.0 113.526 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.05 11.59 22.54 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.437 1.495 . . . . 0.0 113.173 171.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.79 12.36 78.36 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 124.38 0.99 . . . . 0.0 114.795 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -77.62 146.61 36.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.083 0.942 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -124.51 55.29 9.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.35 147.71 42.17 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.201 2.601 . . . . 0.0 111.224 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -73.39 162.26 29.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.465 1.106 . . . . 0.0 110.334 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -53.82 -40.49 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.19 1.396 . . . . 0.0 112.738 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.42 80.14 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.924 0.89 . . . . 0.0 112.621 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.38 -45.07 66.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.528 0.731 . . . . 0.0 111.116 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.18 -48.06 79.69 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.288 0.635 . . . . 0.0 111.286 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.68 -47.59 84.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.754 0.422 . . . . 0.0 111.504 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.68 -31.32 71.21 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.486 -0.759 . . . . 0.0 112.922 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.1 mtm -69.71 -31.15 69.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.804 -0.56 . . . . 0.0 111.377 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.09 -48.63 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 118.939 0.79 . . . . 0.0 109.394 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -57.29 -27.6 62.29 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -70.58 -28.73 65.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.335 1.054 . . . . 0.0 112.827 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.85 -28.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.4 17.78 5.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.137 1.375 . . . . 0.0 112.576 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -23.09 63.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 113.433 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.34 -11.14 59.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.01 1.324 . . . . 0.0 113.73 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.38 18.74 70.59 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.12 1.343 . . . . 0.0 115.135 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.03 -30.4 67.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.33 4.94 90.35 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.186 1.374 . . . . 0.0 113.71 -171.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -140.07 161.25 38.07 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.688 1.995 . . . . 0.0 110.957 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.9 mt -121.64 131.96 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 125.886 1.675 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -94.73 151.97 18.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.305 1.442 . . . . 0.0 110.518 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.95 -51.54 66.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.834 -1.555 . . . . 0.0 114.939 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.51 -23.18 50.53 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.342 2.028 . . . . 0.0 113.57 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.85 -41.13 62.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.582 1.083 . . . . 0.0 110.755 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.6 -39.38 91.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 111.99 169.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.55 -32.04 71.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.231 -0.918 . . . . 0.0 112.363 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -63.62 -46.86 83.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.099 0.96 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 ptp -65.45 -39.77 92.43 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.902 0.773 . . . . 0.0 111.971 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.3 mmm -62.72 -33.59 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.041 0.936 . . . . 0.0 112.437 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 124.328 1.051 . . . . 0.0 112.537 172.413 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.93 -38.26 66.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.902 0.881 . . . . 0.0 111.806 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.0 -38.74 91.97 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.079 0.854 . . . . 0.0 110.513 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.67 -40.48 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 110.898 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -64.38 -42.54 96.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.762 0.825 . . . . 0.0 112.634 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.89 -35.2 76.03 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.507 -0.746 . . . . 0.0 112.424 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.01 79.93 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.453 -0.78 . . . . 0.0 112.734 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -70.93 -39.0 72.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.125 0.875 . . . . 0.0 112.645 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.03 -27.28 69.0 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.89 -35.72 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.174 0.99 . . . . 0.0 112.428 169.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -88.59 -21.0 24.26 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.91 139.06 58.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.47 1.108 . . . . 0.0 110.948 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -78.57 -12.5 60.02 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -146.15 -14.93 0.46 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.325 1.45 . . . . 0.0 114.33 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.49 25.67 32.42 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.994 1.283 . . . . 0.0 112.237 -167.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -76.19 -25.5 55.25 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.181 1.392 . . . . 0.0 114.149 -171.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.57 13.61 29.76 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 125.554 1.55 . . . . 0.0 113.512 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -142.51 139.46 31.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 114.461 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.38 156.41 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.078 1.751 . . . . 0.0 110.66 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -74.66 136.19 41.91 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.669 -1.269 . . . . 0.0 111.827 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.144 -0.972 . . . . 0.0 113.212 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.95 81.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.853 0.861 . . . . 0.0 112.811 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.5 -42.54 74.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.71 0.804 . . . . 0.0 110.764 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.44 -37.42 78.09 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.642 0.777 . . . . 0.0 111.556 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -65.27 -42.52 93.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.659 -0.651 . . . . 0.0 112.107 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -71.3 -48.59 49.76 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.799 0.84 . . . . 0.0 113.081 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.94 -21.22 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.291 1.036 . . . . 0.0 112.518 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -93.96 -17.46 22.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.3 p -101.32 -32.96 10.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.477 1.035 . . . . 0.0 112.224 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.91 -55.63 3.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.066 0.946 . . . . 0.0 111.97 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.18 154.0 20.5 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.188 1.395 . . . . 0.0 112.008 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 -134.62 14.91 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 111.569 -172.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.37 -171.53 3.5 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.471 0.708 . . . . 0.0 109.65 164.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -84.68 165.43 17.9 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.298 -1.501 . . . . 0.0 111.357 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.31 136.47 21.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.584 1.554 . . . . 0.0 108.496 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -74.47 158.58 33.58 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.399 1.08 . . . . 0.0 111.926 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.8 -44.92 82.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.755 1.222 . . . . 0.0 112.201 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.58 -21.36 62.69 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.303 1.041 . . . . 0.0 112.973 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.61 -57.58 3.39 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.978 0.911 . . . . 0.0 109.117 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.29 -32.32 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -171.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.63 -37.24 82.19 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.054 0.843 . . . . 0.0 111.614 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.65 -27.83 60.59 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.731 0.813 . . . . 0.0 111.881 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 52.2 ttm -57.26 -43.85 83.39 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.135 0.879 . . . . 0.0 111.249 170.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.97 -44.02 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.595 -0.691 . . . . 0.0 110.534 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.56 -27.58 68.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.139 0.976 . . . . 0.0 113.243 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -90.15 -37.01 14.49 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.028 1.331 . . . . 0.0 112.639 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.91 -41.34 19.01 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.604 1.561 . . . . 0.0 112.854 176.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 112.765 -0.134 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -86.95 123.39 32.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.695 0.798 . . . . 0.0 110.168 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.34 125.38 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 127.252 2.221 . . . . 0.0 109.588 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.05 96.13 6.38 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.188 0.518 . . . . 0.0 109.793 166.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -72.52 -25.82 61.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.9 -42.01 86.18 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.61 -0.681 . . . . 0.0 111.648 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.82 -37.53 76.27 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.533 0.733 . . . . 0.0 111.785 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.6 -40.08 93.51 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.088 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.67 -43.92 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.49 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -67.52 -31.19 71.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.206 0.912 . . . . 0.0 112.799 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 77.1 mtm -73.64 -36.9 65.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.233 0.613 . . . . 0.0 112.085 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.6 ttp -72.81 -37.3 67.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.935 1.294 . . . . 0.0 113.093 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.484 1.254 0 C-N-CA 124.629 1.171 . . . . 0.0 113.475 -178.369 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 42.6 mp0 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.508 0.194 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.15 -48.25 71.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 110.999 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.9 m -71.95 -26.91 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.322 -0.861 . . . . 0.0 113.083 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -67.26 -45.57 76.29 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.09 -1.006 . . . . 0.0 111.24 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.02 64.82 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.571 0.748 . . . . 0.0 112.683 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 58.2 mtt -59.19 -30.6 68.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.051 0.94 . . . . 0.0 113.32 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.4 t -71.2 -42.17 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.099 0.863 . . . . 0.0 110.288 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.09 -43.85 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.34 0.656 . . . . 0.0 110.117 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.41 -42.93 96.98 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.369 0.668 . . . . 0.0 111.579 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -60.94 -49.88 75.67 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.772 0.829 . . . . 0.0 111.326 175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.86 97.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.489 0.716 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.46 -41.17 76.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.205 0.602 . . . . 0.0 112.552 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -63.79 -41.05 98.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.311 0.96 . . . . 0.0 111.988 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -64.32 -35.36 80.6 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.111 0.964 . . . . 0.0 112.687 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.83 -50.84 61.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.913 0.885 . . . . 0.0 112.242 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 CA--C 1.537 0.463 0 O-C-N 121.137 -0.977 . . . . 0.0 113.432 178.653 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.3 p -96.51 161.54 13.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.899 1.28 . . . . 0.0 111.372 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.87 -31.67 71.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.63 -22.01 61.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.804 0.842 . . . . 0.0 113.24 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -82.12 -43.26 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.037 0.835 . . . . 0.0 110.343 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.19 -36.43 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.273 1.029 . . . . 0.0 110.99 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.27 66.55 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.33 -41.77 10.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.627 1.171 . . . . 0.0 111.569 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.41 -33.33 73.51 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.536 -0.728 . . . . 0.0 112.106 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -58.54 -39.97 81.67 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.114 0.966 . . . . 0.0 112.498 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.61 -40.22 80.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.56 0.618 . . . . 0.0 111.682 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.81 77.35 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.553 -0.717 . . . . 0.0 112.59 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.5 -40.16 73.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.941 0.896 . . . . 0.0 111.792 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 -18.39 64.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.39 -25.52 59.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.716 1.143 . . . . 0.0 112.715 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -89.81 -20.85 23.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 112.94 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -76.09 84.79 2.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.719 1.208 . . . . 0.0 110.948 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -71.83 -27.56 62.99 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -174.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -89.11 -17.64 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.646 1.179 . . . . 0.0 113.155 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.31 73.04 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.607 1.098 . . . . 0.0 113.849 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -94.13 -5.53 46.98 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.482 1.513 . . . . 0.0 113.992 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 16.42 53.44 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.838 1.209 . . . . 0.0 114.586 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.6 p -125.63 152.07 45.66 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.327 1.451 . . . . 0.0 112.501 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.66 164.55 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.796 1.638 . . . . 0.0 109.776 166.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.7 p -76.38 164.36 26.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.356 0.98 . . . . 0.0 112.494 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -62.71 -26.01 68.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.143 168.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.78 -44.35 50.01 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.472 1.109 . . . . 0.0 111.505 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -66.08 -20.97 66.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.76 1.224 . . . . 0.0 113.506 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.64 -52.1 63.34 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.572 -0.705 . . . . 0.0 111.447 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.36 -19.22 59.57 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.378 -0.679 . . . . 0.0 113.494 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 m -85.06 -43.37 13.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.347 1.459 . . . . 0.0 111.399 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.33 -27.99 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.203 1.365 . . . . 0.0 111.974 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 mmt -54.06 -51.05 65.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.769 0.828 . . . . 0.0 110.81 166.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.15 -28.65 61.42 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.282 1.033 . . . . 0.0 113.338 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -60.98 -32.25 71.81 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.188 -0.945 . . . . 0.0 112.039 167.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.66 11.07 30.23 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.59 1.956 . . . . 0.0 113.276 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.15 87.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.82 1.2 . . . . 0.0 115.156 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -90.03 132.58 35.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.923 1.289 . . . . 0.0 109.432 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -120.48 64.68 11.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.022 0.929 . . . . 0.0 112.681 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.42 142.13 32.75 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.319 2.679 . . . . 0.0 111.225 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 m -70.67 159.66 34.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.013 0.925 . . . . 0.0 109.961 175.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.13 -35.56 69.64 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.929 0.892 . . . . 0.0 112.745 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.41 74.33 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.851 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -74.34 -40.92 61.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.779 0.832 . . . . 0.0 110.731 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -58.67 -48.68 80.24 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.086 0.954 . . . . 0.0 110.474 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -58.81 -42.52 89.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.083 0.856 . . . . 0.0 111.948 176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.62 -35.36 79.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.049 0.94 . . . . 0.0 113.519 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 ptp -83.67 -35.96 24.14 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.075 0.852 . . . . 0.0 112.962 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.96 -54.82 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.583 1.153 . . . . 0.0 110.89 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -63.74 -21.41 66.39 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.752 1.16 . . . . 0.0 113.314 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.45 -22.14 51.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 113.364 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.02 -28.37 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.761 1.164 . . . . 0.0 113.362 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.8 25.04 2.89 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.984 1.714 . . . . 0.0 112.714 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.49 -20.25 62.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.897 1.279 . . . . 0.0 113.676 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.08 -15.34 59.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.32 1.448 . . . . 0.0 113.385 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.91 18.18 79.06 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.782 1.182 . . . . 0.0 113.758 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -73.34 -30.22 63.19 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.854 1.662 . . . . 0.0 113.404 -170.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.31 5.18 82.93 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.765 1.65 . . . . 0.0 114.342 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -136.1 156.4 48.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.779 1.632 . . . . 0.0 112.744 -171.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.78 131.39 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.066 2.146 . . . . 0.0 108.888 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.73 156.68 19.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 112.026 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.24 -51.4 81.13 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.71 -26.87 45.29 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.723 2.282 . . . . 0.0 113.298 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.91 -39.57 69.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.599 1.16 . . . . 0.0 111.472 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -62.58 -42.69 99.72 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 111.997 168.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.4 -32.18 73.68 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.1 m -64.01 -47.8 78.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.18 0.992 . . . . 0.0 110.971 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.4 ptp -67.18 -31.61 72.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.509 0.595 . . . . 0.0 112.47 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.81 -41.97 74.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.991 . . . . 0.0 112.116 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 124.346 1.058 . . . . 0.0 112.329 178.666 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.22 -42.28 69.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.82 0.848 . . . . 0.0 111.993 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -68.53 -40.7 80.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.003 0.921 . . . . 0.0 110.442 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.45 -42.5 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.959 1.304 . . . . 0.0 110.68 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -61.93 -45.31 94.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.498 0.719 . . . . 0.0 112.432 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -63.34 -32.64 74.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.26 96.87 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.469 1.031 . . . . 0.0 111.579 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -68.46 -39.11 81.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.732 -0.605 . . . . 0.0 112.383 169.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -64.53 -32.01 73.47 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.684 0.794 . . . . 0.0 112.686 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.52 -37.11 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.675 1.19 . . . . 0.0 111.908 170.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.69 -23.83 31.54 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -68.6 117.32 10.18 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.923 0.868 . . . . 0.0 110.242 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -81.69 -8.86 59.75 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 113.921 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.5 -20.76 5.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.35 1.46 . . . . 0.0 113.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.4 19.25 69.37 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.853 1.216 . . . . 0.0 113.123 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.85 -19.73 61.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.826 1.65 . . . . 0.0 114.472 -174.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.56 11.1 52.19 Favored Glycine 0 N--CA 1.476 1.33 0 C-N-CA 125.49 1.519 . . . . 0.0 113.922 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.44 142.94 39.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.052 1.341 . . . . 0.0 113.075 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.55 159.67 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.773 1.629 . . . . 0.0 110.623 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -80.41 139.95 36.25 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.015 -1.053 . . . . 0.0 111.746 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.9 98.63 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.856 -1.152 . . . . 0.0 112.918 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.13 71.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 0.0 113.096 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.98 -44.57 30.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.399 1.48 . . . . 0.0 111.203 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.79 -39.45 94.28 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.056 0.844 . . . . 0.0 111.991 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -55.23 -54.34 44.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.862 0.865 . . . . 0.0 111.091 166.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -66.63 -42.41 86.81 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.2 -23.2 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.519 -1.363 . . . . 0.0 112.53 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.51 -20.61 50.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.84 1.256 . . . . 0.0 114.359 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 77.4 p -108.83 -12.66 14.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.9 1.28 . . . . 0.0 113.636 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -103.99 -42.67 5.5 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.16 152.76 18.5 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.491 1.116 . . . . 0.0 112.333 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.9 -152.74 50.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.309 1.433 . . . . 0.0 114.154 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.86 140.06 55.19 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 160.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -91.83 140.34 29.78 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 tp -87.8 155.32 19.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.564 1.546 . . . . 0.0 110.609 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -83.78 162.52 20.6 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.94 -39.64 78.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.266 1.426 . . . . 0.0 111.98 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.89 -42.7 94.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.0 1.72 . . . . 0.0 110.915 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.68 -43.64 65.65 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.123 0.969 . . . . 0.0 112.135 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.74 -32.36 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.343 1.428 . . . . 0.0 111.983 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.45 -39.47 92.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.07 0.85 . . . . 0.0 112.054 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -64.21 -48.11 77.11 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.486 0.585 . . . . 0.0 111.279 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttm -56.65 -50.79 71.03 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.413 1.085 . . . . 0.0 112.114 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.13 -40.42 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.399 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -65.17 -37.23 86.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.21 -20.57 60.84 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.85 -43.7 12.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.928 0.891 . . . . 0.0 112.614 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 125.493 1.517 . . . . 0.0 114.121 -172.544 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.14 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -89.04 146.39 24.88 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.663 1.185 . . . . 0.0 110.542 165.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.0 t -88.36 124.24 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.978 1.711 . . . . 0.0 109.507 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.44 73.53 7.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.992 1.317 . . . . 0.0 110.383 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -63.07 -23.96 67.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.59 -39.25 79.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.688 0.795 . . . . 0.0 112.343 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -80.12 -34.97 37.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.232 1.013 . . . . 0.0 111.698 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -62.21 -28.58 69.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.982 1.313 . . . . 0.0 113.241 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.06 -39.56 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.544 1.138 . . . . 0.0 112.522 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.42 -25.92 65.27 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.143 0.883 . . . . 0.0 111.887 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.1 mtt -70.46 -19.88 62.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.31 1.044 . . . . 0.0 112.73 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 18.0 mmt -78.12 -42.05 33.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.043 1.337 . . . . 0.0 112.282 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 124.955 1.302 . . . . 0.0 111.587 177.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.89 -45.25 78.61 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.516 -0.74 . . . . 0.0 111.663 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.0 m -71.08 -31.43 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 69.8 m -63.17 -43.7 97.53 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.345 -0.847 . . . . 0.0 111.495 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.77 68.84 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.386 -0.821 . . . . 0.0 112.669 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.0 mtm -79.34 -16.72 55.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 55.7 t -81.61 -43.72 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.758 1.163 . . . . 0.0 110.939 172.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.49 -35.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.542 0.61 . . . . 0.0 111.767 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.4 -34.7 76.5 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -65.95 -39.97 90.91 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.512 1.051 . . . . 0.0 111.186 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.92 96.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.242 1.417 . . . . 0.0 111.422 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -72.46 -35.77 68.32 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.475 -0.766 . . . . 0.0 112.763 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.54 -21.22 61.93 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.217 -0.927 . . . . 0.0 112.402 172.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -73.84 -39.69 63.83 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.368 1.067 . . . . 0.0 111.755 164.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 71.3 t60 -58.4 -51.47 69.68 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.224 0.92 . . . . 0.0 112.748 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 124.983 1.313 . . . . 0.0 114.43 -172.105 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.5 mt . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -93.25 160.06 15.0 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.879 1.672 . . . . 0.0 111.515 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.612 0.765 . . . . 0.0 112.987 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.9 -24.67 61.68 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -81.17 -44.27 18.1 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.83 0.852 . . . . 0.0 110.31 170.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.73 -37.39 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.914 1.286 . . . . 0.0 111.952 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.77 67.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.441 1.096 . . . . 0.0 113.723 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.98 -39.85 12.71 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.81 0.844 . . . . 0.0 111.691 173.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.33 -30.53 71.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.405 0.682 . . . . 0.0 112.76 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.16 -44.3 71.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.592 1.157 . . . . 0.0 112.555 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -38.3 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.278 0.631 . . . . 0.0 111.935 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.67 -47.65 45.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.151 0.432 . . . . 0.0 111.817 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -58.54 -42.04 86.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.808 0.843 . . . . 0.0 112.354 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 m -66.32 -18.55 65.42 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -29.66 38.71 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.084 1.311 . . . . 0.0 111.808 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 35' ' ' VAL . 77.2 m-85 -88.06 -11.77 46.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.946 1.299 . . . . 0.0 113.005 175.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.81 63.3 2.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.035 1.734 . . . . 0.0 110.568 166.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -67.82 -25.66 65.68 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.903 1.281 . . . . 0.0 113.835 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.16 -16.81 36.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.79 1.236 . . . . 0.0 113.303 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.82 13.76 80.81 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.674 1.13 . . . . 0.0 114.403 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.15 -18.6 42.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 113.736 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.3 20.44 25.26 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.904 1.24 . . . . 0.0 113.921 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -133.26 151.85 51.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.407 1.483 . . . . 0.0 111.144 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.28 161.69 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.152 0.981 . . . . 0.0 110.462 166.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -79.25 153.53 29.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.551 0.741 . . . . 0.0 111.339 166.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -60.75 -35.59 76.78 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.475 1.11 . . . . 0.0 111.871 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.32 -35.76 80.09 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 113.078 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -85.83 -8.09 58.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.312 1.045 . . . . 0.0 113.137 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.23 -47.7 68.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.519 1.054 . . . . 0.0 110.998 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.8 -13.59 59.41 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.722 1.153 . . . . 0.0 114.414 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.6 m -92.7 -41.04 10.38 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.88 1.672 . . . . 0.0 110.596 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.6 t -60.91 -40.45 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 119.536 1.062 . . . . 0.0 110.377 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -53.54 -53.17 55.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 110.903 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.89 -26.3 63.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.063 0.945 . . . . 0.0 113.19 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.9 m -70.01 -19.4 63.32 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.244 -0.91 . . . . 0.0 112.997 170.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.93 -2.19 26.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.653 1.981 . . . . 0.0 113.324 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 5.89 66.74 Favored Glycine 0 N--CA 1.475 1.292 0 C-N-CA 125.295 1.426 . . . . 0.0 115.138 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -85.0 128.33 34.58 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.134 1.467 . . . . 0.0 109.446 172.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -119.65 73.16 16.37 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.057 0.943 . . . . 0.0 111.137 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.91 131.32 16.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.464 2.776 . . . . 0.0 111.443 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.77 156.56 13.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.537 1.135 . . . . 0.0 109.296 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.29 -34.11 63.84 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.87 74.42 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.263 1.025 . . . . 0.0 112.951 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.57 -37.17 82.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.137 1.375 . . . . 0.0 111.372 175.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.43 -48.77 71.62 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.251 1.02 . . . . 0.0 110.488 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -63.69 -36.76 84.9 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.477 0.581 . . . . 0.0 111.491 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.51 -34.58 75.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.975 0.91 . . . . 0.0 112.695 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.1 mtm -75.6 -42.41 51.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 111.373 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -56.63 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.529 0.604 . . . . 0.0 110.575 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -65.82 -17.52 64.69 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.72 -27.2 64.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.438 1.095 . . . . 0.0 113.446 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -112.44 -24.66 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.184 0.994 . . . . 0.0 113.354 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.91 23.72 3.55 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.312 1.845 . . . . 0.0 112.675 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.1 -24.05 66.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.75 1.22 . . . . 0.0 113.306 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.01 -15.76 56.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.588 1.555 . . . . 0.0 113.25 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.9 17.57 79.7 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.199 1.381 . . . . 0.0 113.375 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.36 -26.38 63.71 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.747 1.219 . . . . 0.0 113.89 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.76 0.51 87.68 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.483 1.516 . . . . 0.0 114.982 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.0 p -137.55 160.8 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.828 1.651 . . . . 0.0 112.299 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -132.2 132.66 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.738 2.015 . . . . 0.0 108.762 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.98 157.25 16.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.87 1.268 . . . . 0.0 110.854 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 28.3 t80 -56.95 -43.85 99.56 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.764 -172.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.2 -35.52 85.09 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.752 2.301 . . . . 0.0 113.421 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -70.96 -43.85 67.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.618 0.767 . . . . 0.0 110.926 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.08 -45.48 90.73 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.52 1.128 . . . . 0.0 112.365 172.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.42 -35.78 81.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.651 -0.656 . . . . 0.0 112.108 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -63.77 -44.04 94.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.844 0.747 . . . . 0.0 110.676 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.1 -48.33 80.5 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.561 0.618 . . . . 0.0 111.93 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.2 -40.11 96.56 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.796 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 124.836 1.254 . . . . 0.0 112.918 175.4 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.58 -33.31 68.96 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.275 0.943 . . . . 0.0 112.283 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -71.6 -42.35 67.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.427 1.091 . . . . 0.0 110.516 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.34 -43.4 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 110.703 171.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.21 -46.49 88.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.124 0.969 . . . . 0.0 112.148 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.35 -33.12 75.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.708 0.803 . . . . 0.0 112.878 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.19 80.84 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.354 -0.841 . . . . 0.0 112.514 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' A' ' 142' ' ' VAL . 79.5 m-85 -69.45 -39.28 77.89 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.915 0.78 . . . . 0.0 112.305 171.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.73 -28.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.042 0.937 . . . . 0.0 112.723 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.87 -39.27 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.006 0.922 . . . . 0.0 112.121 168.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -83.68 -20.34 33.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 73.18 2.04 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.783 1.278 . . . . 0.0 111.237 168.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -64.85 -19.27 65.78 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.403 1.881 . . . . 0.0 115.441 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.46 -18.25 21.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.174 1.39 . . . . 0.0 113.429 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.71 22.68 68.95 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.332 0.968 . . . . 0.0 113.33 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.52 -21.64 48.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.956 1.302 . . . . 0.0 114.346 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.05 7.47 77.36 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.988 1.28 . . . . 0.0 114.047 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -140.71 157.04 46.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.114 1.766 . . . . 0.0 111.924 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -133.4 155.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.642 1.577 . . . . 0.0 109.874 174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.7 m -77.21 143.33 39.08 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.894 -1.129 . . . . 0.0 111.587 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.9 78.02 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.072 -1.017 . . . . 0.0 112.802 178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.74 73.04 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.549 0.74 . . . . 0.0 112.829 172.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -71.28 -44.86 64.41 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.369 1.068 . . . . 0.0 110.54 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.46 -33.62 75.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.079 0.952 . . . . 0.0 112.599 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.5 -51.54 65.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.382 0.673 . . . . 0.0 110.722 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -66.26 -45.19 81.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.874 0.87 . . . . 0.0 112.914 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.97 -17.22 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.248 -0.907 . . . . 0.0 112.691 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -95.63 -18.75 20.29 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.215 1.406 . . . . 0.0 114.264 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -108.47 -20.51 13.09 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.951 1.3 . . . . 0.0 113.183 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -94.88 -38.11 10.87 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.684 1.194 . . . . 0.0 113.072 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.23 154.81 27.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.149 1.38 . . . . 0.0 113.162 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.88 -144.08 33.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.835 1.207 . . . . 0.0 113.441 171.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.7 117.1 23.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.776 1.23 . . . . 0.0 108.433 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -65.04 126.65 28.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.323 -0.861 . . . . 0.0 112.639 -169.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.72 146.31 30.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.258 1.023 . . . . 0.0 110.382 170.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.1 p -71.26 168.13 17.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 122.493 1.139 . . . . 0.0 111.795 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.77 -31.88 62.98 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.573 -1.649 . . . . 0.0 112.244 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.82 -44.76 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.151 0.981 . . . . 0.0 111.874 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.27 -47.38 76.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.538 0.735 . . . . 0.0 111.721 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.91 -33.06 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.438 0.563 . . . . 0.0 111.856 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.94 -48.4 79.05 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.827 0.74 . . . . 0.0 110.708 170.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.29 -41.78 97.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.177 0.591 . . . . 0.0 112.096 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.4 ttm -59.52 -46.34 89.12 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.59 -0.693 . . . . 0.0 112.3 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.3 mm -72.68 -40.92 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.302 0.641 . . . . 0.0 110.955 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.4 ttm-85 -56.49 -35.9 68.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.832 1.253 . . . . 0.0 112.771 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -76.02 -11.69 59.99 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.96 -39.11 7.49 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.864 1.265 . . . . 0.0 113.275 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 126.249 1.819 . . . . 0.0 114.66 -171.102 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.624 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.55 119.34 25.08 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.578 1.189 . . . . 0.0 109.884 162.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -86.87 123.57 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 125.815 1.646 . . . . 0.0 109.245 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -78.79 89.74 4.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.94 0.876 . . . . 0.0 109.124 165.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 39.7 p90 -66.52 -28.29 68.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.05 -41.2 95.39 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.731 0.813 . . . . 0.0 112.009 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -38.98 75.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.722 0.409 . . . . 0.0 111.905 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.13 -35.89 76.28 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.609 -0.71 . . . . 0.0 112.784 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 45.5 t -53.33 -61.55 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.803 0.841 . . . . 0.0 110.312 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.41 -31.21 71.83 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.9 mtm -62.27 -32.17 72.85 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.012 0.824 . . . . 0.0 113.148 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -93.34 -32.41 14.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.477 0.879 0 CA-C-N 119.991 1.268 . . . . 0.0 114.137 -173.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 CA--C 1.539 0.541 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.01 -43.98 81.51 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.338 -0.852 . . . . 0.0 111.881 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.7 m -71.33 -32.43 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.916 -0.49 . . . . 0.0 112.275 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 74.3 m -64.98 -46.84 79.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.179 0.9 . . . . 0.0 111.725 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.55 -44.91 69.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.586 0.754 . . . . 0.0 111.854 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.29 -28.13 67.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 74.6 t -75.18 -39.41 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.181 1.355 . . . . 0.0 111.24 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.88 -41.83 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.534 -0.729 . . . . 0.0 110.593 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -66.34 -36.41 82.85 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.5 1.12 . . . . 0.0 111.58 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -62.38 -43.02 99.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.244 1.017 . . . . 0.0 111.771 172.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.61 86.6 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.948 0.899 . . . . 0.0 112.545 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -67.45 -44.68 78.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.839 0.456 . . . . 0.0 111.65 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -70.02 -26.54 64.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -62.89 -55.21 28.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.478 0.711 . . . . 0.0 110.495 163.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.7 t60 -58.17 -44.06 87.76 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.869 1.268 . . . . 0.0 114.341 -174.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -176.526 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -87.11 157.82 19.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.579 1.552 . . . . 0.0 111.814 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.49 -37.92 76.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.49 0.716 . . . . 0.0 112.463 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -24.09 63.82 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -84.38 -42.46 15.68 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.908 0.776 . . . . 0.0 110.777 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -56.76 -40.02 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.692 1.197 . . . . 0.0 111.66 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.68 70.96 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.587 1.155 . . . . 0.0 113.654 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.63 -40.15 19.37 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.959 0.904 . . . . 0.0 111.331 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -65.87 -33.64 76.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.318 0.647 . . . . 0.0 112.306 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.84 -44.08 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.044 0.938 . . . . 0.0 112.571 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.98 -31.74 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.936 1.294 . . . . 0.0 112.471 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.4 -39.51 24.86 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.487 -0.758 . . . . 0.0 112.507 171.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -65.71 -38.17 88.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.345 1.058 . . . . 0.0 112.581 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -66.26 -20.88 66.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.88 -24.65 52.57 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.063 -1.023 . . . . 0.0 112.465 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -92.73 -11.34 34.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.347 1.459 . . . . 0.0 112.911 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.24 66.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.91 1.684 . . . . 0.0 111.498 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.29 -28.44 67.18 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.461 1.904 . . . . 0.0 113.309 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.15 -22.7 48.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.324 1.05 . . . . 0.0 113.118 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.22 89.51 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.489 1.519 . . . . 0.0 115.011 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.74 -9.3 56.21 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.157 1.383 . . . . 0.0 113.608 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 20.24 25.88 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.13 1.348 . . . . 0.0 113.458 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.2 p -120.54 150.84 40.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.756 1.622 . . . . 0.0 111.812 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.6 pt -122.93 163.24 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.923 1.289 . . . . 0.0 110.617 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -78.5 166.36 22.68 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.967 0.889 . . . . 0.0 112.118 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -64.75 -28.33 69.51 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.607 1.163 . . . . 0.0 112.329 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -77.78 -35.45 51.56 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -17.9 60.76 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.239 0.927 . . . . 0.0 112.862 174.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -49.58 73.96 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.13 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.46 -28.05 72.59 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.734 0.683 . . . . 0.0 113.253 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -73.58 -50.16 22.64 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.564 1.146 . . . . 0.0 110.495 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.7 -33.18 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 119.584 1.083 . . . . 0.0 112.214 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -55.84 -55.02 37.45 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.031 0.832 . . . . 0.0 111.128 169.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.95 -24.24 59.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.707 0.803 . . . . 0.0 112.97 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -69.68 -36.11 75.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.272 1.029 . . . . 0.0 111.94 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.97 -25.52 43.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 113.006 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.65 17.68 10.95 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.28 1.419 . . . . 0.0 115.195 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.029 1.415 . . . . 0.0 109.033 166.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -122.99 69.63 38.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.462 1.105 . . . . 0.0 111.466 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -71.62 159.56 50.72 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.841 2.361 . . . . 0.0 110.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -69.67 164.42 23.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.692 . . . . 0.0 110.398 165.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.46 -37.99 73.74 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.507 -0.746 . . . . 0.0 111.683 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.91 71.67 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.086 0.954 . . . . 0.0 112.764 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.19 -37.12 77.98 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.241 0.928 . . . . 0.0 111.932 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.07 -49.28 76.57 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 110.76 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -37.9 83.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.478 0.711 . . . . 0.0 111.706 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.02 -36.94 83.22 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -68.2 -38.05 81.56 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.249 0.931 . . . . 0.0 111.015 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -53.62 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.215 0.606 . . . . 0.0 110.164 172.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -57.16 -25.84 59.59 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.259 1.024 . . . . 0.0 113.614 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.57 -26.9 64.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.863 0.865 . . . . 0.0 112.449 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -114.06 -30.05 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.37 27.46 6.22 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.803 1.641 . . . . 0.0 112.651 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.17 -26.16 62.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.915 1.286 . . . . 0.0 113.547 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -82.79 -8.91 59.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.662 1.585 . . . . 0.0 113.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.55 54.6 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.666 1.127 . . . . 0.0 115.79 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.38 -24.92 59.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 1.29 . . . . 0.0 114.149 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.47 9.55 84.68 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.799 1.19 . . . . 0.0 114.225 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.5 p -141.25 158.64 43.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.243 1.817 . . . . 0.0 112.203 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.33 126.54 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 126.555 1.942 . . . . 0.0 108.528 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -87.38 155.34 20.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.443 1.497 . . . . 0.0 111.465 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 30.4 t80 -49.78 -48.54 77.07 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.47 -24.22 42.81 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.181 1.921 . . . . 0.0 113.65 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.74 -42.96 60.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.492 1.042 . . . . 0.0 110.621 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.05 -41.9 93.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.917 1.287 . . . . 0.0 111.843 170.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.15 -33.22 75.28 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.295 -0.878 . . . . 0.0 112.491 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 m -67.3 -46.51 73.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.259 1.024 . . . . 0.0 111.236 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.17 -35.46 80.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.358 0.981 . . . . 0.0 112.197 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.8 mmm -69.61 -41.78 75.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.02 0.928 . . . . 0.0 112.683 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.515 1.526 . . . . 0.0 111.288 173.858 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.65 -34.21 77.37 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 112.693 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.26 -40.59 70.88 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.231 0.923 . . . . 0.0 110.462 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.83 -43.37 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.627 0.771 . . . . 0.0 110.052 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -66.33 -42.47 88.13 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.88 -35.43 78.31 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.054 0.942 . . . . 0.0 111.756 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.21 91.31 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.824 0.738 . . . . 0.0 111.123 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -63.77 -38.26 90.44 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.733 -0.604 . . . . 0.0 112.439 170.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -69.77 -26.19 64.17 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.88 -34.71 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.194 0.998 . . . . 0.0 111.668 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -87.29 -15.94 36.59 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.65 124.47 22.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.067 0.947 . . . . 0.0 109.923 165.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -80.35 -8.22 59.41 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -134.21 -21.88 1.81 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.949 1.3 . . . . 0.0 113.856 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.17 22.64 51.44 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 124.867 1.222 . . . . 0.0 112.504 -168.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -73.13 -22.3 60.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.765 1.626 . . . . 0.0 114.539 -173.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.09 17.13 33.09 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.24 1.4 . . . . 0.0 113.254 -173.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -143.05 142.88 31.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.362 1.465 . . . . 0.0 112.857 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.11 156.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.22 1.408 . . . . 0.0 110.728 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -78.29 138.75 38.76 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.258 -0.901 . . . . 0.0 111.419 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.14 72.36 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.148 -0.97 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.99 82.12 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.178 -0.951 . . . . 0.0 112.722 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 -45.49 68.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.588 0.755 . . . . 0.0 110.496 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.82 -34.19 72.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.538 1.135 . . . . 0.0 112.568 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.15 -46.19 68.2 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.829 0.852 . . . . 0.0 111.19 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -71.06 -43.57 67.53 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.147 0.979 . . . . 0.0 113.308 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.18 -44.04 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 118.928 0.785 . . . . 0.0 111.588 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -67.95 -26.61 66.04 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.309 1.043 . . . . 0.0 113.663 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -95.66 -3.56 45.94 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.58 -19.92 0.84 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.26 152.52 24.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.054 1.297 . . . . 0.0 111.567 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.5 -145.57 49.98 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.806 0.717 . . . . 0.0 111.712 -172.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.62 135.22 36.52 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 161.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.13 129.86 40.55 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.097 -1.002 . . . . 0.0 112.716 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.93 149.05 32.45 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 110.991 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -74.92 153.53 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.467 1.107 . . . . 0.0 111.398 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.48 -42.89 79.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.59 1.156 . . . . 0.0 111.748 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.64 -11.99 61.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 113.463 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -96.49 -53.97 3.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.446 1.498 . . . . 0.0 110.275 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -65.79 -30.96 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.655 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.4 -29.42 67.16 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.991 -1.068 . . . . 0.0 112.191 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.34 -38.69 55.56 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.508 0.723 . . . . 0.0 111.438 170.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttm -55.14 -48.16 74.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.081 0.552 . . . . 0.0 110.781 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.35 -39.34 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.017 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -56.4 -41.56 76.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.669 1.122 . . . . 0.0 112.356 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -82.05 -19.7 39.78 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.18 -34.8 12.78 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.7 1.2 . . . . 0.0 114.011 -172.304 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.116 0 CA-C-O 119.802 -0.444 . . . . 0.0 114.191 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -100.49 136.96 39.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.966 1.306 . . . . 0.0 109.712 171.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.31 121.74 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 126.22 1.808 . . . . 0.0 109.181 -174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -77.78 78.15 4.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.351 1.06 . . . . 0.0 110.382 165.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -58.39 -21.27 49.78 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -56.58 -40.37 75.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.117 0.967 . . . . 0.0 111.833 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -75.24 -33.8 61.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.352 1.061 . . . . 0.0 111.153 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -64.78 -39.71 94.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 111.937 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.13 -45.22 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.332 0.653 . . . . 0.0 110.838 171.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -62.96 -40.98 99.32 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.343 0.52 . . . . 0.0 111.837 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.62 -35.37 79.37 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.314 -0.867 . . . . 0.0 112.483 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.0 mtm -71.05 -38.53 72.53 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.557 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.61 -41.96 78.8 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.8 -0.562 . . . . 0.0 111.975 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.8 m -83.81 -27.16 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.53 0.732 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 64.6 m -61.95 -41.01 97.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.09 -1.006 . . . . 0.0 111.425 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.78 70.68 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.8 -40.1 76.18 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.805 0.842 . . . . 0.0 112.792 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 77.3 t -70.11 -36.12 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.955 0.798 . . . . 0.0 111.487 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -50.96 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.504 0.593 . . . . 0.0 111.576 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.66 -27.27 63.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.55 -43.06 97.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.047 0.839 . . . . 0.0 111.485 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.34 75.07 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.543 0.737 . . . . 0.0 111.541 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.97 -44.42 92.79 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.65 -39.68 88.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.641 0.776 . . . . 0.0 112.402 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.88 -34.64 78.88 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.558 0.617 . . . . 0.0 112.24 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.41 -47.85 66.19 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 112.72 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 N--CA 1.47 0.572 0 CA-C-N 119.197 0.908 . . . . 0.0 113.053 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -104.43 159.17 15.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.46 -32.23 73.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.332 0.653 . . . . 0.0 112.735 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.18 -27.03 64.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 112.747 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.74 -44.17 34.24 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.582 -0.698 . . . . 0.0 109.885 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.48 -43.76 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.101 0.961 . . . . 0.0 111.023 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -76.7 -48.01 20.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.034 1.334 . . . . 0.0 110.958 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -66.47 -26.08 67.02 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.56 -39.56 84.43 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.609 0.764 . . . . 0.0 112.298 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.75 -34.39 73.75 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.29 -43.03 61.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.455 0.571 . . . . 0.0 112.321 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.92 -40.56 95.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.417 1.087 . . . . 0.0 111.768 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 m -70.12 -15.65 63.0 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -29.13 62.45 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.667 1.121 . . . . 0.0 112.355 172.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -87.84 -13.42 42.18 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.501 1.521 . . . . 0.0 113.196 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -76.38 76.79 3.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.926 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -73.44 -23.35 60.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.153 1.381 . . . . 0.0 113.508 -176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.4 -19.56 27.92 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.011 1.325 . . . . 0.0 113.707 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.91 11.65 81.08 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.939 1.257 . . . . 0.0 114.536 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.13 -4.67 51.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.571 1.548 . . . . 0.0 113.665 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.63 21.71 46.37 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.901 1.239 . . . . 0.0 114.092 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -126.45 159.33 33.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.431 1.492 . . . . 0.0 111.43 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.13 160.22 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.708 1.203 . . . . 0.0 110.649 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -70.92 149.14 47.02 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 166.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.7 p -56.26 -31.86 63.98 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.983 0.913 . . . . 0.0 112.189 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.75 -23.43 66.09 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.725 1.21 . . . . 0.0 114.166 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.86 -10.05 55.99 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.004 0.922 . . . . 0.0 113.015 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.73 -48.33 82.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.69 1.132 . . . . 0.0 111.131 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.8 -26.6 67.21 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-O 119.404 -0.665 . . . . 0.0 112.255 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -75.56 -48.75 21.04 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.945 1.298 . . . . 0.0 111.15 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.27 -34.76 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-N 120.15 1.341 . . . . 0.0 111.464 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.9 mtp -64.58 -40.3 95.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.579 0.627 . . . . 0.0 111.729 173.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -66.49 -39.83 88.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.311 1.045 . . . . 0.0 112.59 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -64.66 -26.23 68.3 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.114 -0.991 . . . . 0.0 113.22 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -89.0 11.03 19.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.732 1.613 . . . . 0.0 113.495 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.17 9.91 86.61 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.648 1.118 . . . . 0.0 115.219 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -88.77 148.24 24.04 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.327 1.063 . . . . 0.0 109.915 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -131.09 66.18 78.37 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.839 0.856 . . . . 0.0 112.573 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.26 151.52 71.92 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.816 2.344 . . . . 0.0 110.807 170.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 p -72.76 168.84 17.96 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.826 0.851 . . . . 0.0 110.55 166.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.87 -35.27 72.71 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.915 -0.49 . . . . 0.0 111.293 170.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.57 66.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.156 0.982 . . . . 0.0 112.246 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -60.41 -42.32 95.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.609 0.764 . . . . 0.0 111.567 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.61 -47.24 73.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.866 0.867 . . . . 0.0 111.451 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.93 -35.68 80.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.46 0.573 . . . . 0.0 112.247 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -64.56 -34.92 79.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.291 1.036 . . . . 0.0 113.172 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.2 mtm -77.59 -36.85 51.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.428 0.558 . . . . 0.0 111.313 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.99 -61.02 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.233 1.013 . . . . 0.0 110.887 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.28 -19.11 65.19 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.59 1.086 . . . . 0.0 113.686 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -68.47 -36.83 79.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.597 1.159 . . . . 0.0 112.557 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.1 -30.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.498 0.719 . . . . 0.0 112.644 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -90.51 32.99 0.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.601 1.561 . . . . 0.0 112.39 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.67 67.51 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.805 1.242 . . . . 0.0 113.475 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -82.86 -11.2 58.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.763 1.225 . . . . 0.0 113.698 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.68 78.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.909 1.242 . . . . 0.0 115.323 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -71.39 -20.49 62.13 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.931 1.366 . . . . 0.0 114.25 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.97 15.46 72.52 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.115 1.341 . . . . 0.0 113.765 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 p -134.85 159.38 41.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 112.746 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 mt -131.67 132.6 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.44 1.896 . . . . 0.0 108.948 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.06 153.85 18.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.426 1.49 . . . . 0.0 111.205 174.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.41 -44.19 98.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -171.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.07 -32.31 91.67 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.044 2.496 . . . . 0.0 114.273 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.06 -41.43 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.12 0.968 . . . . 0.0 110.745 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -62.7 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.336 1.055 . . . . 0.0 112.054 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.81 -27.88 68.58 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.184 -0.947 . . . . 0.0 112.999 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -37.67 88.38 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.993 0.917 . . . . 0.0 110.902 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.8 mtt -60.71 -48.19 82.89 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.361 0.665 . . . . 0.0 110.985 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.72 -48.04 78.67 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.443 1.097 . . . . 0.0 111.925 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 124.247 1.019 . . . . 0.0 113.256 -178.338 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.56 -35.9 82.2 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.724 0.81 . . . . 0.0 112.158 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.14 -38.61 88.56 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.702 0.801 . . . . 0.0 111.033 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.19 -38.99 64.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.419 1.088 . . . . 0.0 110.604 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.76 -45.77 84.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.81 -25.23 64.57 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.737 0.699 . . . . 0.0 112.376 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.98 99.19 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.582 -0.699 . . . . 0.0 110.901 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -64.88 -36.77 85.42 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 170.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -65.23 -30.49 71.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.807 0.843 . . . . 0.0 113.197 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.61 -33.8 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-N 119.456 1.025 . . . . 0.0 111.774 170.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -97.79 2.49 49.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.448 1.499 . . . . 0.0 114.126 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -76.21 133.26 40.18 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.425 1.09 . . . . 0.0 110.479 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -16.77 64.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -145.23 -19.67 0.49 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.531 1.532 . . . . 0.0 114.026 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.43 23.6 36.41 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.767 1.175 . . . . 0.0 112.063 -166.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.57 -19.82 57.48 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.237 1.415 . . . . 0.0 114.402 -170.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.27 16.88 31.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.855 1.693 . . . . 0.0 113.714 -174.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -145.36 141.37 28.43 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.463 1.505 . . . . 0.0 112.133 -172.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 pt -132.84 153.67 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.266 1.426 . . . . 0.0 110.745 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -78.22 136.21 37.75 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.004 -1.06 . . . . 0.0 111.173 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.93 74.53 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.2 -0.937 . . . . 0.0 113.218 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.6 83.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.16 0.984 . . . . 0.0 112.702 173.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -68.18 -44.28 76.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.812 0.845 . . . . 0.0 110.122 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.31 -51.95 66.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.411 1.084 . . . . 0.0 110.511 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -54.94 -44.96 74.77 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.371 1.068 . . . . 0.0 111.896 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.73 -43.22 84.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.945 0.898 . . . . 0.0 113.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.0 -43.71 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.978 . . . . 0.0 110.433 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.0 mmt -74.16 -16.94 60.98 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.6 p -108.4 -16.59 14.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.933 1.293 . . . . 0.0 113.531 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.07 -49.35 3.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.422 1.089 . . . . 0.0 112.961 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.44 143.07 27.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.163 1.385 . . . . 0.0 112.407 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.98 -157.52 52.32 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 125.028 1.299 . . . . 0.0 113.526 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.19 147.93 50.6 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.309 -0.524 . . . . 0.0 109.93 161.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -94.2 149.77 20.93 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -163.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.97 134.06 36.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.461 1.504 . . . . 0.0 109.435 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -70.52 155.95 40.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.824 1.249 . . . . 0.0 110.468 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.11 -41.65 65.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.711 1.204 . . . . 0.0 112.961 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.41 -14.13 60.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.655 1.182 . . . . 0.0 113.147 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -94.94 -51.7 4.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.547 1.539 . . . . 0.0 110.717 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.05 -32.54 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.392 -0.817 . . . . 0.0 112.579 -173.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.12 -47.1 72.16 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.819 0.736 . . . . 0.0 110.682 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.78 -37.14 80.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.129 0.972 . . . . 0.0 112.49 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.4 ttm -57.48 -29.43 64.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.895 0.878 . . . . 0.0 112.46 172.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.59 -39.68 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.482 0.713 . . . . 0.0 111.606 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -59.15 -31.46 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.176 1.353 . . . . 0.0 112.626 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -83.68 -6.79 59.53 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.183 0.993 . . . . 0.0 113.625 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.93 -35.07 7.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.887 1.675 . . . . 0.0 113.303 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.522 1.929 . . . . 0.0 113.812 -175.824 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 CA-C-O 118.371 -1.239 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -90.28 126.52 35.87 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.698 1.749 . . . . 0.0 110.644 170.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.94 123.24 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.946 1.698 . . . . 0.0 108.734 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -78.03 85.03 4.26 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 164.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -64.93 -23.13 67.13 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -170.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.42 -35.35 75.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.557 1.143 . . . . 0.0 112.314 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.17 -40.3 24.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.45 0.7 . . . . 0.0 111.028 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.7 -41.51 86.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.85 0.75 . . . . 0.0 112.874 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.94 -51.77 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.307 0.643 . . . . 0.0 110.79 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -71.78 -28.29 63.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.6 -34.29 76.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -91.96 -25.57 18.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.482 1.156 0 CA-C-N 120.449 1.477 . . . . 0.0 112.46 172.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.42 -27.49 34.7 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.998 -1.064 . . . . 0.0 113.361 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 20.4 m -92.74 -34.01 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.056 0.844 . . . . 0.0 111.941 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 13.9 p -63.27 -38.3 90.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.56 -0.712 . . . . 0.0 111.681 171.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.52 67.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.806 171.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -79.78 -29.72 40.45 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 56.7 t -65.38 -39.36 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.296 0.953 . . . . 0.0 110.973 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.01 -41.4 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 121.814 -0.553 . . . . 0.0 110.89 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.99 -37.49 86.07 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.493 0.717 . . . . 0.0 111.878 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.5 -46.54 83.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.202 1.001 . . . . 0.0 112.178 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.53 77.56 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.021 . . . . 0.0 111.865 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.48 -39.22 88.65 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.457 0.703 . . . . 0.0 112.752 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.7 -35.57 75.19 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.267 -0.896 . . . . 0.0 112.441 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.21 -33.52 75.95 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.282 0.947 . . . . 0.0 111.964 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.07 -49.59 67.07 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.34 0.973 . . . . 0.0 112.249 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.46 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 120.763 0.316 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -133.17 165.49 24.65 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.491 1.916 . . . . 0.0 110.3 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.44 -38.82 69.53 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.193 0.997 . . . . 0.0 112.718 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.18 -22.85 61.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.427 1.091 . . . . 0.0 113.472 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -81.52 -45.23 16.23 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.506 -0.746 . . . . 0.0 110.068 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.88 -38.81 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.226 1.411 . . . . 0.0 111.389 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.96 68.54 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 113.599 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.94 -42.2 11.33 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.963 0.905 . . . . 0.0 111.623 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.92 -29.39 70.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -61.06 -32.74 72.37 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 173.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.66 -23.65 58.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.781 0.833 . . . . 0.0 112.934 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.83 -36.2 21.77 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.47 0.577 . . . . 0.0 111.633 169.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -69.19 -38.07 78.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.73 0.812 . . . . 0.0 112.38 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -63.91 -24.93 67.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -20.5 53.21 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -96.37 -21.5 17.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.016 1.326 . . . . 0.0 111.961 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.33 59.81 1.07 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.458 1.903 . . . . 0.0 111.248 167.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.37 -21.44 62.87 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.447 1.099 . . . . 0.0 113.48 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.67 -21.91 47.55 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.13 1.372 . . . . 0.0 112.832 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 5.35 89.7 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.801 1.667 . . . . 0.0 115.369 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -84.92 -10.74 56.78 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.988 1.315 . . . . 0.0 113.744 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 23.18 17.84 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.117 1.341 . . . . 0.0 113.499 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -129.12 149.97 50.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.731 1.612 . . . . 0.0 112.144 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 pt -117.13 160.31 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.726 1.211 . . . . 0.0 110.541 165.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 152.39 41.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -56.56 -30.71 63.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.227 1.011 . . . . 0.0 111.949 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.72 -34.81 77.6 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 113.305 173.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 -18.72 47.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.536 1.134 . . . . 0.0 112.562 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.75 -43.11 80.42 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.196 -0.94 . . . . 0.0 111.438 170.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.66 -15.3 57.35 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 118.779 -1.012 . . . . 0.0 113.675 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -95.94 -38.84 10.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.299 1.44 . . . . 0.0 111.605 172.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.45 -32.04 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 120.6 1.545 . . . . 0.0 112.074 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mmm -63.34 -39.03 93.41 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.527 0.603 . . . . 0.0 111.53 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -66.98 -40.42 87.42 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.642 0.777 . . . . 0.0 112.549 172.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -65.26 -27.77 68.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.203 1.001 . . . . 0.0 112.809 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.7 mt -89.1 2.52 53.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.552 1.541 . . . . 0.0 112.801 173.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.43 75.25 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 115.446 171.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.72 159.67 17.69 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.937 1.368 . . . . 0.0 111.766 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -134.76 69.94 71.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.119 1.368 . . . . 0.0 111.836 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.46 141.19 38.02 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.088 1.859 . . . . 0.0 109.538 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m -75.48 161.96 28.74 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 165.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -32.01 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.25 74.62 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.076 -1.015 . . . . 0.0 113.486 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.95 -38.27 79.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.243 0.929 . . . . 0.0 111.098 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 tp -64.92 -45.34 86.26 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.953 0.901 . . . . 0.0 110.782 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.27 -41.01 96.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.335 0.654 . . . . 0.0 111.67 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.25 -41.33 98.34 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 ptp -71.32 -32.87 69.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.894 0.77 . . . . 0.0 111.85 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.46 -53.89 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.226 1.01 . . . . 0.0 110.287 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -52.43 -32.92 41.62 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.546 1.066 . . . . 0.0 112.988 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.16 -18.02 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.322 1.049 . . . . 0.0 113.564 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.68 -27.47 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -96.54 24.58 5.79 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.911 1.684 . . . . 0.0 112.523 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.86 65.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.339 1.455 . . . . 0.0 113.892 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -82.72 -9.35 59.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.816 1.646 . . . . 0.0 113.184 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.97 26.99 47.31 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.174 1.368 . . . . 0.0 114.789 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -72.82 -30.07 63.75 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.467 1.134 . . . . 0.0 113.651 -174.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.71 6.4 89.4 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.181 1.372 . . . . 0.0 113.78 -174.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -140.08 158.17 44.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.43 1.892 . . . . 0.0 111.234 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.79 124.01 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.763 1.625 . . . . 0.0 108.663 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.29 153.23 36.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.902 1.281 . . . . 0.0 111.574 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -49.23 -49.71 68.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.582 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.34 -28.33 63.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.058 1.839 . . . . 0.0 114.098 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.45 -40.99 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.676 1.125 . . . . 0.0 111.007 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -58.49 -44.09 89.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.897 0.879 . . . . 0.0 111.451 170.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.27 -34.06 77.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.337 -0.852 . . . . 0.0 112.288 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -45.35 82.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.434 1.094 . . . . 0.0 111.663 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ptp -62.92 -29.99 71.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.933 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 71.2 mtp -73.77 -48.77 29.24 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.109 0.563 . . . . 0.0 111.046 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 124.492 1.117 . . . . 0.0 113.884 -177.731 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.74 -33.74 76.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.911 0.884 . . . . 0.0 112.158 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.79 -41.34 78.88 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 111.012 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.57 -40.06 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.502 0.721 . . . . 0.0 110.427 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -62.36 -40.16 95.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.097 0.959 . . . . 0.0 112.405 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.52 -35.82 80.6 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.815 0.734 . . . . 0.0 111.988 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.88 89.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.196 0.598 . . . . 0.0 112.149 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.39 -34.61 74.78 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -60.8 -34.99 75.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.8 -19.93 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -85.61 -11.85 52.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 113.005 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -83.94 123.71 30.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.181 0.992 . . . . 0.0 109.71 170.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -71.1 -16.2 62.55 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.5 -19.93 3.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.441 1.496 . . . . 0.0 114.004 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.59 24.27 47.1 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.653 1.12 . . . . 0.0 112.746 -168.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.01 -24.74 60.78 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.46 1.504 . . . . 0.0 114.372 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.45 44.32 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.61 1.576 . . . . 0.0 113.651 -174.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.06 142.05 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.931 1.293 . . . . 0.0 113.847 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.47 160.03 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.517 1.927 . . . . 0.0 110.292 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -73.66 147.12 44.0 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.766 -1.209 . . . . 0.0 111.893 173.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.79 81.48 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.889 -1.132 . . . . 0.0 112.427 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.25 66.09 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.282 -0.886 . . . . 0.0 111.48 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.97 -46.03 90.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.947 1.299 . . . . 0.0 111.153 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.3 -46.22 90.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.775 0.83 . . . . 0.0 111.346 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -60.44 -39.62 88.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.119 0.568 . . . . 0.0 112.026 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.5 -52.66 20.33 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.571 0.748 . . . . 0.0 112.248 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.78 -27.29 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.249 0.931 . . . . 0.0 112.739 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.2 mmt -77.95 -27.24 49.24 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.1 p -91.83 -33.79 14.81 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.309 0.959 . . . . 0.0 112.255 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -82.28 -49.22 10.3 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.07 142.43 32.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.719 0.807 . . . . 0.0 112.254 -172.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.02 -146.28 39.44 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.867 1.223 . . . . 0.0 112.445 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.39 155.27 32.99 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.255 0.55 . . . . 0.0 110.449 163.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.77 126.58 33.54 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.674 -1.266 . . . . 0.0 112.521 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.37 142.04 33.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.788 1.235 . . . . 0.0 108.635 163.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.1 p -82.3 163.98 21.43 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.835 0.826 . . . . 0.0 112.912 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.8 -42.46 93.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.648 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.74 -20.39 63.51 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -86.68 -54.21 4.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.895 1.278 . . . . 0.0 110.125 172.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.94 -33.48 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.333 -0.854 . . . . 0.0 112.305 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.42 -30.98 70.0 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.715 1.143 . . . . 0.0 111.993 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.18 -41.59 73.53 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.45 0.7 . . . . 0.0 110.737 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.5 ttm -58.42 -48.53 80.37 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.708 0.803 . . . . 0.0 111.2 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.88 -39.85 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.594 0.757 . . . . 0.0 111.386 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -60.38 -45.44 93.52 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.296 0.953 . . . . 0.0 111.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -77.21 -21.62 53.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.76 44.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.818 0.847 . . . . 0.0 112.298 171.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 125.099 1.359 . . . . 0.0 113.551 -174.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -81.23 137.56 35.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.644 0.778 . . . . 0.0 109.114 155.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -88.18 123.9 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.924 1.69 . . . . 0.0 109.478 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -77.86 90.36 4.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 164.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -66.07 -26.89 67.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.07 -42.96 93.68 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.322 1.049 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -75.51 -29.52 59.52 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.225 1.01 . . . . 0.0 112.56 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.75 -39.6 91.23 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.185 -0.947 . . . . 0.0 112.94 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.44 -38.38 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.464 -0.773 . . . . 0.0 111.456 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -67.25 -21.37 65.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.0 mtm -84.57 -39.14 19.1 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.268 1.027 . . . . 0.0 112.192 168.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.4 ttm -63.73 -35.31 80.15 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 113.246 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.29 -35.07 75.63 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.72 0.808 . . . . 0.0 112.785 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.2 m -93.26 -29.03 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.821 0.849 . . . . 0.0 112.147 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 70.7 m -59.36 -39.93 84.85 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.083 -1.011 . . . . 0.0 111.606 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.51 78.54 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.084 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.0 mtm -65.83 -30.35 70.96 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.3 t -63.73 -45.36 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.195 0.907 . . . . 0.0 110.732 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.13 -41.43 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.759 -0.588 . . . . 0.0 111.09 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.65 -46.16 77.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 111.582 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -60.09 -47.62 85.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.082 0.953 . . . . 0.0 111.697 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.94 94.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.994 0.518 . . . . 0.0 111.723 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.55 -43.66 93.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.527 0.731 . . . . 0.0 112.424 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.36 -41.93 98.86 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.433 -0.792 . . . . 0.0 112.024 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.179 0.992 . . . . 0.0 112.365 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.94 -45.79 92.17 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.127 0.971 . . . . 0.0 113.143 170.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 124.823 1.249 . . . . 0.0 113.322 179.376 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 p -82.54 163.43 21.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.822 1.249 . . . . 0.0 111.433 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.96 -34.33 73.13 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -25.71 50.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.07 -48.21 53.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.933 0.788 . . . . 0.0 110.137 167.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -55.97 -44.59 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.528 1.131 . . . . 0.0 110.933 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.46 71.34 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.72 -44.38 20.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.609 1.164 . . . . 0.0 111.192 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.08 -28.76 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.146 -0.971 . . . . 0.0 112.659 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.97 -38.68 76.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.314 1.045 . . . . 0.0 112.781 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -65.38 -40.49 93.56 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.578 0.751 . . . . 0.0 111.883 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.81 -43.11 63.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.341 0.656 . . . . 0.0 112.229 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.58 -39.57 93.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.245 1.018 . . . . 0.0 112.106 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -66.24 -22.05 66.31 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -27.92 64.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.534 1.061 . . . . 0.0 111.813 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -95.45 -5.06 43.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.148 1.779 . . . . 0.0 113.436 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.8 68.09 3.8 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.197 1.799 . . . . 0.0 110.971 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -65.51 -23.14 66.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.699 1.6 . . . . 0.0 114.978 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.69 -18.58 24.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.849 1.26 . . . . 0.0 113.282 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.02 90.38 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.267 1.413 . . . . 0.0 114.777 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -7.3 53.34 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.286 1.434 . . . . 0.0 113.683 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.18 28.08 9.54 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.986 1.279 . . . . 0.0 113.783 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 p -130.9 137.24 49.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.474 1.51 . . . . 0.0 111.477 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.64 159.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.012 0.925 . . . . 0.0 110.823 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -73.7 150.78 41.01 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -60.57 -37.95 83.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.174 0.99 . . . . 0.0 112.434 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.59 -25.92 67.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.34 -11.78 59.93 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.523 1.129 . . . . 0.0 112.836 175.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.38 -44.3 92.78 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 121.134 -0.979 . . . . 0.0 110.947 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -21.81 63.7 Favored Glycine 0 N--CA 1.471 1.02 0 C-N-CA 123.854 0.74 . . . . 0.0 113.0 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -83.36 -47.26 11.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.2 1.4 . . . . 0.0 111.313 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.62 -28.96 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.888 1.222 . . . . 0.0 111.884 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -53.42 -52.44 59.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.77 1.228 . . . . 0.0 110.851 166.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -72.41 -29.38 63.68 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.055 0.942 . . . . 0.0 113.346 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -63.44 -23.42 67.39 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.464 1.029 . . . . 0.0 113.12 167.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.91 15.89 27.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.885 1.674 . . . . 0.0 112.538 173.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.47 86.66 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.07 1.319 . . . . 0.0 115.734 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -89.74 130.92 35.93 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.907 1.283 . . . . 0.0 109.869 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -125.83 68.57 62.83 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.082 0.953 . . . . 0.0 112.231 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.67 152.51 42.63 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.604 2.87 . . . . 0.0 110.93 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -67.15 168.0 11.07 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 122.281 -0.262 . . . . 0.0 110.98 166.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.68 -36.49 72.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.497 -0.752 . . . . 0.0 111.613 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.46 67.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.194 0.997 . . . . 0.0 112.467 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.21 -34.38 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.081 0.855 . . . . 0.0 111.805 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -68.72 -47.73 65.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.695 0.798 . . . . 0.0 110.834 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.62 -36.57 78.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.751 0.82 . . . . 0.0 111.622 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.04 -34.51 77.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.137 0.975 . . . . 0.0 113.132 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.4 mtm -76.88 -41.16 44.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.54 -59.01 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.558 1.143 . . . . 0.0 110.892 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.95 -18.15 63.35 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.95 -45.52 67.26 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.31 1.044 . . . . 0.0 111.287 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.2 -33.19 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -107.62 56.07 0.64 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.41 1.484 . . . . 0.0 111.023 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.98 -22.95 66.5 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.265 1.026 . . . . 0.0 113.742 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.16 -15.35 44.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.325 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.38 41.1 9.42 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.471 1.034 . . . . 0.0 114.066 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -69.51 -26.72 64.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.669 1.188 . . . . 0.0 113.211 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 10.31 79.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.107 1.337 . . . . 0.0 113.217 -171.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -139.01 157.63 45.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.871 1.669 . . . . 0.0 112.314 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.52 134.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.081 1.752 . . . . 0.0 109.459 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.11 151.14 20.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.28 1.432 . . . . 0.0 111.513 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -52.89 -49.35 87.49 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.01 -25.42 51.75 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.084 1.856 . . . . 0.0 113.676 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -73.9 -42.96 59.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.633 1.106 . . . . 0.0 111.094 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.29 -42.5 91.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.614 1.166 . . . . 0.0 111.885 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.92 -34.31 77.83 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.78 -47.09 76.32 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.364 1.066 . . . . 0.0 111.5 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -63.81 -29.57 70.76 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.5 mmm -74.95 -41.31 59.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.099 0.96 . . . . 0.0 112.101 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 125.24 1.416 . . . . 0.0 112.484 178.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 N--CA 1.47 0.525 0 CA-C-O 119.048 -0.501 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -67.53 -35.62 79.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.719 0.691 . . . . 0.0 112.007 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.69 -43.68 65.53 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.221 1.008 . . . . 0.0 109.982 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.18 -43.81 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.325 1.05 . . . . 0.0 110.324 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -61.46 -46.25 90.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.978 0.911 . . . . 0.0 112.254 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -33.85 76.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.97 0.908 . . . . 0.0 112.604 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.394 -0.816 . . . . 0.0 111.876 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.22 -39.74 89.82 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 170.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.7 -35.98 81.47 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.802 0.841 . . . . 0.0 112.738 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.0 t -58.87 -30.65 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.004 0.922 . . . . 0.0 112.291 171.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.87 -11.47 39.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -71.44 136.41 47.65 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.618 1.167 . . . . 0.0 110.53 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -79.13 -11.41 59.98 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -147.86 -11.83 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.92 21.32 50.7 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.867 1.222 . . . . 0.0 112.469 -168.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -14.47 60.1 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -171.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.65 8.83 56.98 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.221 1.391 . . . . 0.0 114.708 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -136.83 146.23 45.38 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.4 158.65 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.797 2.039 . . . . 0.0 109.968 174.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -74.13 144.04 45.07 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.761 -1.212 . . . . 0.0 111.987 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.48 96.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 0.0 112.705 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.29 77.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.619 -0.675 . . . . 0.0 111.678 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.27 -40.88 81.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.917 0.887 . . . . 0.0 111.618 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.51 -48.65 80.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.987 0.915 . . . . 0.0 110.923 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -53.8 -46.7 71.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.327 0.651 . . . . 0.0 111.856 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.32 -48.59 64.49 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.359 -0.838 . . . . 0.0 113.007 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -20.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.928 -1.108 . . . . 0.0 112.459 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -12.1 51.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.658 1.583 . . . . 0.0 114.89 171.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.8 p -120.31 -13.7 8.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.401 1.455 . . . . 0.0 114.616 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.35 -5.73 23.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -132.08 161.12 34.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.773 2.029 . . . . 0.0 110.934 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.26 -144.37 49.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.436 1.017 . . . . 0.0 114.623 166.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.16 112.9 24.55 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.626 1.57 . . . . 0.0 109.957 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -69.6 156.77 38.41 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -168.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.27 166.96 23.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 110.942 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -80.22 163.14 24.25 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.012 1.325 . . . . 0.0 113.602 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.97 -35.45 64.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 113.843 -1.526 . . . . 0.0 111.796 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.14 -43.33 71.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.037 0.935 . . . . 0.0 111.569 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -68.61 -36.14 78.27 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.659 1.118 . . . . 0.0 112.298 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.6 m -70.44 -32.85 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 120.899 1.682 . . . . 0.0 112.628 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.83 -39.84 91.22 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.756 1.162 . . . . 0.0 111.399 174.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -60.6 -50.33 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.9 0.88 . . . . 0.0 111.095 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttm -57.82 -53.05 62.54 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.313 1.045 . . . . 0.0 111.844 -176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.85 -37.37 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.229 0.468 . . . . 0.0 111.634 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -62.16 -42.14 98.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.486 0.584 . . . . 0.0 111.805 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -79.94 -21.96 43.24 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 113.666 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.39 -51.37 6.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.589 1.156 . . . . 0.0 113.446 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 124.776 1.23 . . . . 0.0 111.973 -178.184 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.664 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.14 128.85 47.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.445 1.122 . . . . 0.0 109.719 171.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.37 121.98 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.748 1.619 . . . . 0.0 108.589 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.22 92.31 3.27 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 161.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -70.55 -24.36 62.78 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.432 -0.792 . . . . 0.0 112.523 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.41 -41.44 97.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.023 0.929 . . . . 0.0 111.894 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.35 -43.04 64.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.722 0.809 . . . . 0.0 111.82 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -61.43 -24.48 66.57 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.95 -38.81 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 118.921 0.782 . . . . 0.0 112.007 166.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -88.74 -23.17 22.99 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.415 0.686 . . . . 0.0 112.825 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.6 86.94 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.932 -1.105 . . . . 0.0 111.561 167.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.2 ptp -85.47 -5.44 59.29 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.79 1.177 . . . . 0.0 111.854 164.298 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.723 0.297 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.36 -45.59 75.88 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.254 1.022 . . . . 0.0 111.677 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.1 m -70.93 -29.48 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.483 0.583 . . . . 0.0 112.283 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -66.01 -48.73 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.304 0.956 . . . . 0.0 111.68 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.77 61.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.739 0.816 . . . . 0.0 112.333 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.02 -24.83 67.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.1 t -78.68 -33.8 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.472 1.033 . . . . 0.0 111.052 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 49.2 mt -75.02 -42.48 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.184 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -63.59 -41.28 98.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.787 0.835 . . . . 0.0 112.118 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 7.8 ptm85 -69.62 -36.51 76.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.436 1.016 . . . . 0.0 112.299 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -70.12 -37.19 75.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.768 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 46.9 t80 -72.38 -41.75 66.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.68 -0.637 . . . . 0.0 112.135 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -59.93 -43.4 94.96 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.94 0.791 . . . . 0.0 111.269 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -57.09 -48.98 77.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 111.072 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.44 -46.06 84.01 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.228 0.922 . . . . 0.0 113.14 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.475 0.813 0 CA-C-N 119.358 0.981 . . . . 0.0 112.283 177.113 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -88.18 158.32 18.56 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.788 1.235 . . . . 0.0 110.794 167.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.79 -31.88 72.12 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.636 -0.665 . . . . 0.0 112.325 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.54 -29.24 62.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.465 0.706 . . . . 0.0 112.817 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -73.95 -43.01 59.65 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.327 0.967 . . . . 0.0 111.012 170.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.4 mt -54.73 -39.51 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 0.0 111.135 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.04 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -79.61 -45.21 19.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.743 0.817 . . . . 0.0 111.289 175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.56 -28.41 67.77 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.528 -0.733 . . . . 0.0 112.746 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.96 -38.58 76.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.303 1.041 . . . . 0.0 112.482 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.74 -42.43 86.25 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.568 0.747 . . . . 0.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -43.62 73.24 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.405 -0.809 . . . . 0.0 112.204 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.68 -35.16 80.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.577 0.751 . . . . 0.0 112.62 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -62.73 -31.66 72.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.81 -25.53 62.91 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.856 -1.153 . . . . 0.0 112.466 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 -13.63 31.47 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.209 1.404 . . . . 0.0 113.204 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -75.61 77.43 2.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.537 1.535 . . . . 0.0 110.477 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -72.42 -17.15 61.82 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.473 1.509 . . . . 0.0 114.223 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.03 -20.87 19.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.055 1.342 . . . . 0.0 112.915 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.91 13.26 79.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.282 1.42 . . . . 0.0 114.536 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -98.18 -2.96 38.62 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.376 1.47 . . . . 0.0 113.809 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.04 19.15 52.06 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.527 1.061 . . . . 0.0 114.279 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.2 p -124.19 162.11 24.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.003 1.721 . . . . 0.0 111.766 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 pt -125.71 161.34 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.824 1.249 . . . . 0.0 110.848 164.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -69.21 147.78 50.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 p -57.86 -36.56 72.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.122 0.969 . . . . 0.0 112.757 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.7 -23.77 65.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.505 1.122 . . . . 0.0 113.437 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.78 -9.47 59.33 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.606 1.562 . . . . 0.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.79 -45.38 92.49 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 120.931 -1.105 . . . . 0.0 112.039 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.22 66.11 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.358 0.504 . . . . 0.0 112.398 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -75.04 -42.6 56.82 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.584 1.153 . . . . 0.0 111.489 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.62 -29.61 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.99 1.268 . . . . 0.0 111.916 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -57.56 -53.49 57.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.749 0.82 . . . . 0.0 110.838 166.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -60.1 -40.99 91.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.803 1.241 . . . . 0.0 112.323 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -62.97 -36.23 82.79 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.613 0.765 . . . . 0.0 113.031 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.46 -4.01 56.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.296 1.438 . . . . 0.0 113.726 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.69 14.21 80.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.602 1.096 . . . . 0.0 114.379 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.39 147.32 32.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.735 1.214 . . . . 0.0 110.37 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.96 64.29 14.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.073 0.949 . . . . 0.0 112.747 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.86 157.44 55.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.538 2.825 . . . . 0.0 110.792 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -68.48 149.19 49.57 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 0.0 109.606 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.31 -42.87 92.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.941 0.896 . . . . 0.0 112.602 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.09 73.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -71.72 -42.25 67.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.615 0.766 . . . . 0.0 110.88 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.22 -40.51 90.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.447 1.099 . . . . 0.0 111.439 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -62.68 -38.29 89.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.531 0.733 . . . . 0.0 111.466 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.02 -29.82 69.75 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.6 mtt -67.81 -41.39 83.16 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.183 0.901 . . . . 0.0 110.514 172.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.4 -48.18 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.773 0.829 . . . . 0.0 110.084 173.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -60.03 -34.4 73.33 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -67.32 -44.39 79.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.832 0.853 . . . . 0.0 111.607 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.86 -31.06 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -103.31 31.16 4.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.766 1.626 . . . . 0.0 112.512 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.02 -26.23 64.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.381 1.073 . . . . 0.0 113.821 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.55 -8.22 58.99 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.284 1.434 . . . . 0.0 113.52 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.54 54.64 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.697 1.141 . . . . 0.0 115.704 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.24 -26.07 63.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.638 1.219 . . . . 0.0 113.727 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 13.23 76.81 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.154 1.359 . . . . 0.0 113.359 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -138.41 155.84 48.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.576 1.551 . . . . 0.0 111.877 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.2 mt -120.16 128.14 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.02 1.728 . . . . 0.0 108.679 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -89.66 151.0 22.1 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.856 1.262 . . . . 0.0 111.138 173.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.76 -44.24 99.14 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.1 -35.63 97.69 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.792 2.328 . . . . 0.0 113.791 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.53 -37.06 65.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.252 1.021 . . . . 0.0 112.316 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -62.6 -40.45 96.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.904 0.881 . . . . 0.0 111.914 172.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.44 -29.79 71.02 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.4 m -65.44 -31.86 73.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 0.0 112.437 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.6 mtt -64.98 -35.07 80.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.46 0.573 . . . . 0.0 112.004 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.5 mmm -81.52 -37.68 27.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 112.149 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.684 0 C-N-CA 125.964 1.706 . . . . 0.0 114.294 -179.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.92 -35.79 75.64 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.385 1.074 . . . . 0.0 112.584 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -62.69 -34.83 77.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.412 0.685 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 mt -81.27 -39.32 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.2 -43.29 98.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.822 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.35 -35.63 81.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.084 0.856 . . . . 0.0 111.85 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.32 90.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 0.0 111.556 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.99 -37.33 67.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.799 -0.563 . . . . 0.0 112.38 170.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -63.86 -38.36 90.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.582 -0.723 . . . . 0.0 112.346 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.49 -20.42 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 119.795 1.179 . . . . 0.0 113.706 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -86.87 -8.79 56.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -86.19 108.14 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -82.03 -8.11 59.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 113.73 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.39 -26.95 6.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.909 1.284 . . . . 0.0 114.161 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.3 48.18 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.35 1.452 . . . . 0.0 113.326 -173.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.22 -18.17 60.18 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.25 1.42 . . . . 0.0 114.405 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.58 12.17 65.04 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.974 1.273 . . . . 0.0 113.439 -172.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.89 152.43 46.42 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.842 1.657 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.1 pt -131.11 153.96 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.055 1.742 . . . . 0.0 108.911 170.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.3 p -77.77 150.93 34.27 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.456 -1.403 . . . . 0.0 112.053 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.96 -32.51 72.96 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.143 -0.973 . . . . 0.0 111.964 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.29 82.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.306 1.043 . . . . 0.0 111.773 172.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.86 -49.17 77.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.699 0.8 . . . . 0.0 110.845 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -46.52 87.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.881 0.764 . . . . 0.0 112.222 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -60.28 -42.97 96.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.539 0.735 . . . . 0.0 111.021 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.6 -51.65 26.84 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.35 -31.51 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.488 1.04 . . . . 0.0 111.655 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.4 mmt -81.54 -18.41 45.08 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.1 p -95.57 -24.11 16.76 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.759 1.163 . . . . 0.0 112.264 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -85.49 -33.22 21.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.451 1.101 . . . . 0.0 113.522 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.36 162.57 21.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.614 1.566 . . . . 0.0 113.127 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.11 -134.06 13.81 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.357 1.456 . . . . 0.0 112.308 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.31 1.2 57.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.705 1.202 . . . . 0.0 113.246 174.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.6 mttt 59.05 58.45 3.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.283 1.433 . . . . 0.0 112.952 161.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.24 164.84 4.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.501 1.521 . . . . 0.0 114.475 -175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 m -62.84 153.95 31.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.189 1.796 . . . . 0.0 112.71 -168.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.93 -32.51 70.85 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.351 1.06 . . . . 0.0 112.516 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.9 -32.75 69.79 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.359 1.063 . . . . 0.0 112.694 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.59 -48.99 28.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.128 0.971 . . . . 0.0 110.205 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.52 -31.06 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.478 1.035 . . . . 0.0 112.909 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.49 -42.74 99.7 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 120.472 1.487 . . . . 0.0 111.295 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -65.3 -39.04 91.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.72 0.808 . . . . 0.0 112.016 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.9 ttm -60.66 -37.41 81.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.82 0.848 . . . . 0.0 112.046 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -75.03 -42.83 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.778 -0.576 . . . . 0.0 111.787 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -56.33 -40.39 74.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.54 1.136 . . . . 0.0 113.36 -171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.82 -14.98 61.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.21 -43.98 5.82 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.801 1.241 . . . . 0.0 112.884 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 125.492 1.517 . . . . 0.0 113.821 -172.029 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 CA-C-O 119.167 -0.796 . . . . 0.0 114.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -107.93 118.14 35.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.193 1.497 . . . . 0.0 109.015 169.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.69 114.61 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.498 1.119 . . . . 0.0 109.377 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.16 75.45 1.27 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.945 1.698 . . . . 0.0 109.859 165.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -58.71 -31.42 68.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -170.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.4 -42.62 99.02 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.355 0.662 . . . . 0.0 111.213 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.79 -32.88 60.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 111.808 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -61.37 -39.11 89.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.62 0.768 . . . . 0.0 112.289 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.54 -38.47 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 118.381 -0.818 . . . . 0.0 111.33 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -67.72 -29.35 68.58 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.251 0.932 . . . . 0.0 112.525 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.6 mtm -81.0 -34.17 33.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.311 1.044 . . . . 0.0 111.748 174.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.5 ttp -71.44 -44.19 65.29 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.542 1.137 . . . . 0.0 112.674 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.479 0.998 0 C-N-CA 123.749 0.82 . . . . 0.0 111.619 173.238 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.86 -46.89 67.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.941 0.896 . . . . 0.0 111.632 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -69.51 -32.45 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.0 0.818 . . . . 0.0 111.962 175.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.9 m -62.4 -45.99 90.61 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.637 -0.665 . . . . 0.0 111.58 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.71 78.05 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.986 0.514 . . . . 0.0 111.317 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.17 -37.15 84.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 49.4 t -65.27 -42.19 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 119.358 0.981 . . . . 0.0 110.987 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 58.8 mt -70.77 -40.89 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.549 0.613 . . . . 0.0 111.319 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.61 -39.03 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.9 0.88 . . . . 0.0 111.637 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -60.11 -49.72 76.53 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.956 0.902 . . . . 0.0 111.433 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.41 99.12 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.671 0.789 . . . . 0.0 111.988 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.55 -42.94 73.93 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.46 0.704 . . . . 0.0 112.668 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.76 -39.71 94.99 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.285 -0.885 . . . . 0.0 112.163 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.31 -41.82 93.65 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.448 0.699 . . . . 0.0 112.17 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -56.88 -45.04 82.79 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.781 0.833 . . . . 0.0 112.26 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.472 0.643 0 CA-C-N 119.082 0.855 . . . . 0.0 112.901 174.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.4 mt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.328 0.585 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.17 165.94 20.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.344 2.258 . . . . 0.0 110.474 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.6 -37.94 59.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.853 1.261 . . . . 0.0 113.373 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -21.38 61.93 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -86.37 -43.52 12.79 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.406 -0.809 . . . . 0.0 110.425 169.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.2 mt -56.24 -36.46 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.427 1.491 . . . . 0.0 111.706 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.32 67.3 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.87 -43.04 15.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.816 1.246 . . . . 0.0 111.38 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.0 -30.18 70.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.798 0.839 . . . . 0.0 112.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.3 tppt? -54.72 -42.63 71.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.338 1.055 . . . . 0.0 112.635 169.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.69 -39.66 94.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.762 0.825 . . . . 0.0 112.06 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -44.49 55.7 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.838 -0.539 . . . . 0.0 111.978 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -40.5 93.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.62 0.768 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -64.57 -22.29 66.93 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -20.3 45.22 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 112.913 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.12 -13.03 23.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.535 1.534 . . . . 0.0 112.83 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.65 60.98 0.94 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.759 1.624 . . . . 0.0 110.704 164.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -71.08 -21.13 62.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.28 1.432 . . . . 0.0 113.519 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -82.16 -19.45 39.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.889 1.276 . . . . 0.0 112.978 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.39 7.73 87.21 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.395 1.474 . . . . 0.0 115.039 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -91.95 -12.85 32.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.226 1.41 . . . . 0.0 113.954 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.62 9.09 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.324 1.44 . . . . 0.0 114.522 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.24 148.51 52.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.283 1.433 . . . . 0.0 112.119 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 pt -110.12 165.21 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.991 1.317 . . . . 0.0 110.235 166.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -78.54 161.8 26.77 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.496 -0.753 . . . . 0.0 111.61 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -63.59 -27.36 69.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.2 166.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.15 -43.24 71.28 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.987 1.315 . . . . 0.0 112.193 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.62 -5.66 59.25 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 tp -50.22 -54.19 22.82 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.105 -0.997 . . . . 0.0 112.393 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.75 -27.24 68.03 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.973 -0.348 . . . . 0.0 112.336 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -71.34 -38.46 71.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.086 1.355 . . . . 0.0 111.289 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.39 -45.14 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.147 1.34 . . . . 0.0 110.395 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mtp -67.89 -38.0 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.433 0.693 . . . . 0.0 111.813 -176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -69.67 -34.01 73.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.015 0.926 . . . . 0.0 112.516 172.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.4 m -68.98 -24.4 64.23 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.92 -2.69 44.86 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.546 1.539 . . . . 0.0 113.114 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.93 4.06 75.74 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 125.068 1.318 . . . . 0.0 115.458 171.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -98.19 169.3 9.68 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.672 1.236 . . . . 0.0 111.066 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -143.47 83.0 11.1 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.849 0.86 . . . . 0.0 111.69 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.11 155.99 68.3 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.985 2.457 . . . . 0.0 110.324 168.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -71.72 164.96 24.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.369 0.668 . . . . 0.0 111.731 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.27 -36.51 71.1 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.758 0.823 . . . . 0.0 111.418 169.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.99 79.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.306 1.042 . . . . 0.0 112.176 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.77 -45.38 90.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.62 0.645 . . . . 0.0 111.12 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 mt -59.92 -49.24 78.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.049 0.54 . . . . 0.0 111.271 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.37 -42.43 95.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.009 0.523 . . . . 0.0 111.919 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.72 -36.17 80.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.42 -33.7 69.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.172 0.896 . . . . 0.0 111.103 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.21 -54.83 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 108.88 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.8 -27.28 50.32 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.19 -28.79 64.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.346 1.059 . . . . 0.0 113.069 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.37 -27.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -96.41 20.13 11.02 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.716 1.606 . . . . 0.0 112.864 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -24.59 66.36 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.13 0.972 . . . . 0.0 113.447 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -84.52 -7.82 59.14 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.991 1.317 . . . . 0.0 113.503 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 26.92 46.28 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.012 1.291 . . . . 0.0 114.928 171.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -73.15 -31.57 64.34 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.6 -0.23 86.04 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.705 1.621 . . . . 0.0 114.185 -173.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -135.2 158.94 43.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.739 2.016 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.12 128.32 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.476 1.911 . . . . 0.0 108.218 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.96 158.62 17.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.768 1.227 . . . . 0.0 111.005 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 29.4 t80 -53.84 -43.17 95.97 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -173.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.86 -34.34 82.35 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.962 2.441 . . . . 0.0 113.613 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.97 -42.28 69.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.272 1.029 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.95 -41.03 97.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.284 1.434 . . . . 0.0 111.647 172.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.08 -32.03 72.06 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.374 -0.829 . . . . 0.0 112.563 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -64.78 -47.73 77.08 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.67 1.123 . . . . 0.0 111.006 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.5 ptp -65.57 -26.16 67.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.3 mmm -76.13 -45.7 32.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.39 1.076 . . . . 0.0 111.966 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 124.99 1.316 . . . . 0.0 112.786 -179.826 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -33.63 76.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.916 1.286 . . . . 0.0 112.834 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.73 -42.02 74.53 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.192 -0.942 . . . . 0.0 110.26 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.76 -37.84 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.749 1.22 . . . . 0.0 110.429 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.61 -50.3 45.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.462 1.105 . . . . 0.0 112.971 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.3 -30.56 70.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.387 1.075 . . . . 0.0 112.284 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.91 67.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.0 -29.0 55.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.847 -1.158 . . . . 0.0 113.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.14 -24.9 67.86 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 m -78.91 -31.78 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.268 0.94 . . . . 0.0 113.359 173.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -81.24 -21.79 39.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.994 0.815 . . . . 0.0 112.597 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -84.55 95.73 8.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.818 1.247 . . . . 0.0 110.147 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.74 -12.11 60.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -100.81 -24.67 14.33 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.118 1.367 . . . . 0.0 113.133 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.64 84.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.939 1.256 . . . . 0.0 113.41 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -72.29 -18.5 61.79 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.872 1.669 . . . . 0.0 115.171 -169.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.49 9.83 49.28 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.53 1.062 . . . . 0.0 113.955 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -137.61 150.49 47.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.576 1.55 . . . . 0.0 113.397 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.7 161.24 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.362 1.465 . . . . 0.0 110.024 171.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.9 t -73.97 144.37 45.25 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.487 -1.383 . . . . 0.0 111.215 168.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.57 63.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.311 -0.868 . . . . 0.0 112.533 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.77 65.46 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.081 -1.012 . . . . 0.0 113.189 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.79 -35.08 74.57 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.585 -0.697 . . . . 0.0 111.178 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.76 -44.21 97.02 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.893 0.77 . . . . 0.0 111.088 170.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -65.41 -29.53 70.23 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -76.11 -47.85 22.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.101 -1.0 . . . . 0.0 112.28 173.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.59 -52.67 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.81 1.244 . . . . 0.0 111.92 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -74.27 -14.42 60.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -162.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -119.7 31.73 6.41 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.171 1.788 . . . . 0.0 111.931 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -151.72 -45.06 0.11 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.196 0.999 . . . . 0.0 113.227 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.9 mt -89.97 144.5 25.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.893 1.277 . . . . 0.0 111.058 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.35 -154.18 48.07 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.334 0.968 . . . . 0.0 113.513 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -76.86 134.94 38.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.306 0.642 . . . . 0.0 109.755 162.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -93.57 158.19 15.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.546 1.139 . . . . 0.0 112.41 -172.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -107.12 179.12 4.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.761 1.224 . . . . 0.0 111.827 163.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.0 p -78.28 163.96 25.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.69 -29.79 68.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.254 1.422 . . . . 0.0 112.542 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.91 -47.45 37.74 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.363 1.065 . . . . 0.0 111.19 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -74.82 -34.46 62.37 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.663 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.28 -32.62 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 120.6 1.546 . . . . 0.0 111.535 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.42 -41.73 55.26 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.519 -0.738 . . . . 0.0 111.61 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.85 -39.51 81.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 111.423 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.72 -41.13 76.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.03 0.932 . . . . 0.0 111.452 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.3 mt -79.24 -34.09 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.056 0.942 . . . . 0.0 111.636 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.261 1.025 . . . . 0.0 110.994 173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.84 -29.34 40.11 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.436 1.094 . . . . 0.0 113.065 171.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.23 -40.76 23.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.577 1.535 . . . . 0.0 113.357 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.757 -170.741 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.383 0 CA-C-O 120.495 -0.058 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -91.92 120.78 32.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.039 1.335 . . . . 0.0 108.607 170.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.6 t -79.85 122.16 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.756 1.622 . . . . 0.0 109.967 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -79.0 84.35 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.083 0.953 . . . . 0.0 109.17 168.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -66.78 -21.4 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -57.86 -40.59 80.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.213 1.005 . . . . 0.0 111.226 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.58 -36.67 51.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.318 1.047 . . . . 0.0 111.85 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -66.02 -32.3 73.69 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.96 -50.95 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.515 1.126 . . . . 0.0 110.265 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -70.07 -41.71 73.76 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.343 0.657 . . . . 0.0 111.063 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttm -52.16 -43.02 63.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.87 1.268 . . . . 0.0 112.197 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.6 mtm -73.37 -45.43 55.01 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -163.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.4 -49.58 53.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.868 0.758 . . . . 0.0 111.728 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.2 m -72.96 -28.31 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.117 0.871 . . . . 0.0 112.613 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 62.9 m -63.82 -43.53 95.97 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.885 0.874 . . . . 0.0 111.935 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.24 75.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.02 0.528 . . . . 0.0 111.885 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 44.6 mtt -57.98 -48.87 78.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.993 0.917 . . . . 0.0 112.25 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.7 t -66.34 -37.15 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.834 0.854 . . . . 0.0 110.968 -172.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 77.1 mt -69.28 -50.7 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.279 0.49 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -69.5 -24.07 63.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.01 0.823 . . . . 0.0 112.728 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -75.9 -31.39 59.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.629 1.104 . . . . 0.0 112.172 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -67.97 -43.84 78.08 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.025 -1.047 . . . . 0.0 110.764 167.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 45.3 t80 -63.64 -42.31 98.15 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -55.96 -45.96 78.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.397 1.079 . . . . 0.0 112.339 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -70.54 -36.07 73.49 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.734 0.814 . . . . 0.0 112.521 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.62 -42.62 97.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.542 -0.724 . . . . 0.0 111.998 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.417 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -110.57 162.85 14.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.03 1.332 . . . . 0.0 111.982 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.47 -34.07 74.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.234 1.013 . . . . 0.0 112.894 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.52 -25.45 50.27 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.9 -42.35 66.84 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.947 0.794 . . . . 0.0 110.93 171.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.78 -36.04 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.171 0.989 . . . . 0.0 111.811 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.44 75.64 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.82 0.848 . . . . 0.0 113.07 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.87 -38.26 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.279 1.032 . . . . 0.0 112.04 175.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.87 -27.8 69.11 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.605 -0.684 . . . . 0.0 112.014 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -64.67 -39.63 94.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.928 0.891 . . . . 0.0 112.692 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.01 -42.38 80.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.439 0.696 . . . . 0.0 111.423 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.58 96.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.58 -38.88 91.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.389 1.075 . . . . 0.0 111.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -62.52 -34.97 77.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.223 1.009 . . . . 0.0 113.43 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.97 -18.54 60.86 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.924 -1.11 . . . . 0.0 113.623 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.7 m-85 -98.3 -10.77 23.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.216 1.406 . . . . 0.0 113.469 172.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.04 64.92 5.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.747 1.619 . . . . 0.0 109.946 161.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.97 -17.37 62.66 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -87.13 -18.59 30.1 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.143 1.377 . . . . 0.0 113.083 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 17.85 71.41 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.01 1.29 . . . . 0.0 114.461 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.39 -8.59 50.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.076 1.35 . . . . 0.0 114.061 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 17.11 35.1 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.588 1.566 . . . . 0.0 114.83 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.8 p -136.56 149.62 48.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.775 1.63 . . . . 0.0 110.719 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -99.66 159.06 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.372 0.669 . . . . 0.0 110.252 167.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.16 148.48 37.75 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 p -57.61 -33.75 68.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.15 0.98 . . . . 0.0 111.62 170.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -63.46 -28.94 70.31 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.087 1.355 . . . . 0.0 113.448 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -89.93 -17.1 28.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.052 0.941 . . . . 0.0 112.993 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -52.4 -46.48 66.29 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.083 1.311 . . . . 0.0 111.777 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.92 -8.43 34.79 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.328 -1.262 . . . . 0.0 113.967 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -99.61 -42.13 7.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.202 2.201 . . . . 0.0 111.869 168.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 19' ' ' PHE . 3.4 t -61.07 -40.48 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 119.828 1.195 . . . . 0.0 110.826 -178.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.9 mmm -60.41 -38.98 85.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.98 0.512 . . . . 0.0 111.648 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.73 -37.07 73.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.517 1.127 . . . . 0.0 112.368 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -24.96 67.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.782 0.833 . . . . 0.0 112.401 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.2 mt -98.06 9.4 42.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.384 1.874 . . . . 0.0 113.616 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.24 12.36 76.2 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.485 1.041 . . . . 0.0 114.513 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -82.04 146.8 29.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.424 1.112 . . . . 0.0 110.316 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -122.58 44.7 0.91 Allowed Pre-proline 0 CA--C 1.557 1.243 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -67.09 147.7 79.99 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.051 1.834 . . . . 0.0 111.185 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 m -74.23 158.57 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.935 0.894 . . . . 0.0 109.845 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.03 -33.57 67.33 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.333 1.053 . . . . 0.0 112.929 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.43 79.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.773 0.829 . . . . 0.0 112.958 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.97 -43.47 68.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.386 0.674 . . . . 0.0 110.635 173.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.22 -47.71 82.64 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.204 0.602 . . . . 0.0 110.865 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.95 -42.3 98.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.591 0.632 . . . . 0.0 111.91 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.75 -31.67 72.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.662 0.664 . . . . 0.0 112.625 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -78.36 -24.28 46.52 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 111.62 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.06 -49.85 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.62 -24.33 55.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.15 0.98 . . . . 0.0 113.175 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.54 -27.15 64.91 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.968 1.307 . . . . 0.0 112.847 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.64 -30.08 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -169.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.55 41.04 0.99 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 112.529 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.23 67.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.952 1.301 . . . . 0.0 113.917 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.28 -16.33 56.58 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.428 . . . . 0.0 112.871 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.61 17.33 80.17 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.696 1.141 . . . . 0.0 113.282 -175.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.91 -26.87 63.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 113.55 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.82 13.5 64.62 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.459 1.504 . . . . 0.0 114.179 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.8 p -135.35 157.68 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.118 1.367 . . . . 0.0 112.835 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.76 129.71 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.541 1.937 . . . . 0.0 109.108 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.79 155.88 18.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.144 1.378 . . . . 0.0 111.491 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.48 -50.34 80.66 Favored Pre-proline 0 CA--C 1.549 0.926 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.57 -24.65 41.7 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.277 1.985 . . . . 0.0 113.474 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -69.61 -42.38 74.45 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.198 0.908 . . . . 0.0 110.458 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.24 -40.57 96.3 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.053 1.341 . . . . 0.0 112.598 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.24 -29.01 69.17 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.927 -1.108 . . . . 0.0 112.845 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.0 m -62.34 -38.66 90.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.959 0.904 . . . . 0.0 110.981 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.1 mtt -62.18 -50.55 71.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.446 0.699 . . . . 0.0 111.056 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.4 mmm -58.86 -48.05 82.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.524 1.129 . . . . 0.0 111.94 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 124.483 1.113 . . . . 0.0 113.1 179.132 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 -26.44 57.31 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -72.62 -37.8 67.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.377 1.471 . . . . 0.0 110.945 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.13 -41.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.828 1.251 . . . . 0.0 110.95 166.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -62.49 -37.67 86.9 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.02 -38.37 76.08 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.97 0.805 . . . . 0.0 112.306 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.23 91.31 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.262 -0.899 . . . . 0.0 112.707 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -68.71 -37.54 79.57 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.692 -0.63 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -66.78 -33.95 76.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.858 0.754 . . . . 0.0 112.554 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.11 -34.8 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.052 0.941 . . . . 0.0 111.911 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -89.66 -6.62 55.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -68.16 131.14 44.87 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.636 173.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.26 -13.14 60.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -148.6 -17.05 0.32 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.94 45.47 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.964 1.269 . . . . 0.0 112.411 -167.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.53 -17.89 53.06 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.26 1.424 . . . . 0.0 114.259 -172.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.95 11.67 56.26 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.474 1.512 . . . . 0.0 113.863 -174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -138.07 151.21 47.61 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.149 1.379 . . . . 0.0 113.682 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.0 pt -132.16 169.25 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 109.158 167.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -89.44 152.23 21.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.185 1.357 . . . . 0.0 112.256 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.47 71.61 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.358 -0.839 . . . . 0.0 112.018 173.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.3 81.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.916 0.886 . . . . 0.0 111.731 171.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.44 -45.32 91.45 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.138 0.575 . . . . 0.0 111.045 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.2 -39.86 88.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.319 0.648 . . . . 0.0 112.284 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -68.97 -40.81 78.64 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.833 -0.542 . . . . 0.0 111.326 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -72.55 -44.62 61.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.783 0.833 . . . . 0.0 113.241 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.46 -32.57 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.9 -1.125 . . . . 0.0 111.928 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.93 -21.31 63.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 113.937 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.5 p -111.58 12.01 21.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.244 1.418 . . . . 0.0 112.954 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -132.99 -45.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.9 137.92 31.97 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.659 1.184 . . . . 0.0 111.094 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.09 -144.95 49.89 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.692 1.139 . . . . 0.0 113.198 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -59.26 139.51 56.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.554 0.742 . . . . 0.0 110.93 165.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -88.64 123.29 32.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.24 0.616 . . . . 0.0 110.969 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.9 142.99 41.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.196 0.999 . . . . 0.0 110.827 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.94 150.97 47.85 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.915 1.286 . . . . 0.0 111.205 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -56.81 -43.84 81.39 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.958 1.303 . . . . 0.0 112.912 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.29 -33.25 69.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.342 0.519 . . . . 0.0 112.152 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -72.3 -47.86 46.67 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.877 0.871 . . . . 0.0 110.522 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.0 -33.37 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.964 0.802 . . . . 0.0 112.042 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.37 -38.76 88.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.049 -1.032 . . . . 0.0 111.938 173.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -68.47 -38.1 80.75 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.953 0.901 . . . . 0.0 111.96 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttm -58.35 -44.48 88.79 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.886 0.875 . . . . 0.0 111.079 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.64 -39.68 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.057 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -58.33 -42.08 86.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.421 1.009 . . . . 0.0 112.002 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.95 -27.49 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.287 1.435 . . . . 0.0 112.71 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 -44.6 11.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.323 1.049 . . . . 0.0 113.232 177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 125.237 1.415 . . . . 0.0 113.958 -170.498 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.92 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.87 145.42 34.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.155 -0.615 . . . . 0.0 109.781 151.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.7 121.87 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.957 2.103 . . . . 0.0 108.534 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -76.75 96.6 4.27 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 163.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -71.07 -24.07 62.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.81 -45.17 93.85 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 110.472 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.25 -30.12 64.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.659 0.784 . . . . 0.0 112.532 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.35 -42.7 98.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.113 -0.992 . . . . 0.0 112.345 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.28 -44.26 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.729 0.695 . . . . 0.0 111.803 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.36 -22.91 61.84 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.188 0.904 . . . . 0.0 113.384 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.1 mtm -79.9 -16.0 56.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.387 0.994 . . . . 0.0 112.969 170.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.3 -46.5 8.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.079 1.352 . . . . 0.0 112.047 176.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 N--CA 1.48 1.063 0 C-N-CA 124.79 1.236 . . . . 0.0 113.604 -178.639 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.39 -46.13 64.62 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.235 -0.916 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.0 m -72.42 -27.82 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.447 0.567 . . . . 0.0 112.359 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -61.2 -41.89 97.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.379 0.991 . . . . 0.0 111.74 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.82 76.93 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.191 -0.943 . . . . 0.0 112.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.3 mtm -73.35 -37.56 66.05 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.371 0.668 . . . . 0.0 112.526 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.89 -46.38 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.716 1.206 . . . . 0.0 111.018 173.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.53 -49.73 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.969 -0.457 . . . . 0.0 111.197 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.72 -25.3 62.88 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.268 0.94 . . . . 0.0 112.958 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -63.63 -42.38 98.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.965 1.257 . . . . 0.0 111.188 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.01 88.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.562 0.745 . . . . 0.0 111.683 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 35.9 t80 -68.3 -37.67 80.87 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.747 -0.596 . . . . 0.0 112.514 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.4 -42.77 99.25 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.1 0.96 . . . . 0.0 111.461 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.0 -37.64 88.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.04 0.936 . . . . 0.0 112.038 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.91 -48.48 76.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.457 1.103 . . . . 0.0 112.57 172.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 125.013 1.325 . . . . 0.0 112.571 -178.156 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -96.47 6.22 49.19 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.142 1.777 . . . . 0.0 112.73 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -158.23 157.8 33.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.199 1.8 . . . . 0.0 110.098 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.5 164.16 26.64 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.681 1.192 . . . . 0.0 113.324 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.74 160.33 33.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.821 1.648 . . . . 0.0 112.017 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.27 -35.95 76.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.587 0.755 . . . . 0.0 112.606 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.16 -24.97 63.25 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -80.11 -46.19 16.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.486 0.714 . . . . 0.0 109.901 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.14 -39.3 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.302 1.041 . . . . 0.0 111.658 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.49 69.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.137 0.975 . . . . 0.0 113.382 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -85.68 -41.61 15.01 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.892 0.877 . . . . 0.0 111.704 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -66.06 -28.51 68.89 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -60.49 -38.31 83.9 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -65.04 -40.28 94.56 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.662 0.785 . . . . 0.0 111.357 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.63 -47.02 57.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.136 0.574 . . . . 0.0 112.257 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.56 -38.23 86.72 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.443 0.697 . . . . 0.0 112.424 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 m -69.7 -14.96 63.06 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -30.7 46.34 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.367 0.985 . . . . 0.0 111.64 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -88.53 -10.07 50.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.429 1.492 . . . . 0.0 113.206 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.81 62.61 0.84 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.245 1.818 . . . . 0.0 111.028 170.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -67.37 -21.55 65.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.305 1.842 . . . . 0.0 113.963 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.62 -20.92 28.76 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.951 1.7 . . . . 0.0 112.738 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.84 7.53 86.27 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.025 1.297 . . . . 0.0 113.942 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -89.89 -9.46 48.9 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.746 1.618 . . . . 0.0 113.711 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 21.19 25.99 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.847 1.213 . . . . 0.0 113.635 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.9 p -128.56 154.84 45.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.852 1.661 . . . . 0.0 112.016 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.2 pt -117.45 164.58 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.801 1.241 . . . . 0.0 110.411 162.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -81.3 162.82 23.31 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 0.0 111.413 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.5 p -62.8 -27.71 69.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.252 1.021 . . . . 0.0 112.496 173.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -77.44 -28.52 52.52 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -19.87 56.89 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 172.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.79 -49.02 74.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.479 1.112 . . . . 0.0 111.55 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.45 -16.27 69.24 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.386 -0.675 . . . . 0.0 113.756 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.1 m -82.06 -55.99 4.22 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.056 0.942 . . . . 0.0 110.024 170.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.31 -38.22 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.969 0.804 . . . . 0.0 113.161 -171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.0 mtp -66.72 -34.01 76.9 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.351 0.978 . . . . 0.0 112.762 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -81.25 -34.17 32.3 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.913 0.885 . . . . 0.0 112.466 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.3 m -66.72 -21.51 66.08 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.813 -1.179 . . . . 0.0 113.619 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.2 mt -77.84 1.52 20.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.022 1.329 . . . . 0.0 113.706 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.23 4.31 59.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.873 1.225 . . . . 0.0 115.267 171.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -86.16 173.91 9.49 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.453 1.127 . . . . 0.0 110.715 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -150.08 64.25 6.72 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 121.419 -0.8 . . . . 0.0 112.973 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -67.33 158.39 57.22 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.32 2.68 . . . . 0.0 111.321 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -74.87 164.62 26.36 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.017 0.927 . . . . 0.0 111.469 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -55.77 -37.76 68.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 111.582 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.94 70.43 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.385 1.074 . . . . 0.0 112.482 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.05 -40.81 91.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.802 0.728 . . . . 0.0 111.666 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.23 -48.73 80.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.161 0.584 . . . . 0.0 111.102 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -64.23 -36.45 84.11 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.583 0.628 . . . . 0.0 112.221 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.83 -34.6 78.53 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.044 . . . . 0.0 113.23 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.9 mtm -74.06 -28.83 61.59 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.499 -0.751 . . . . 0.0 111.482 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.16 -46.49 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.867 0.758 . . . . 0.0 110.146 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -56.63 -28.58 60.83 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.464 1.029 . . . . 0.0 113.303 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -76.05 -13.81 60.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.623 1.169 . . . . 0.0 114.01 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.0 m -125.82 -27.21 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -87.25 19.25 3.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.218 1.807 . . . . 0.0 112.39 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -22.03 64.67 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.787 1.235 . . . . 0.0 113.488 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.73 -16.83 56.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.072 1.349 . . . . 0.0 113.543 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 10.33 85.42 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.244 1.402 . . . . 0.0 115.211 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -77.02 -15.94 59.46 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.33 9.97 86.52 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.701 1.143 . . . . 0.0 114.444 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -136.41 159.23 42.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 112.284 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.7 mt -133.54 122.07 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 126.1 1.76 . . . . 0.0 108.485 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.68 153.28 35.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.254 1.021 . . . . 0.0 111.336 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -47.4 -49.84 51.98 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 116.863 -1.541 . . . . 0.0 115.041 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.58 -26.83 69.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.597 2.198 . . . . 0.0 114.197 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -74.11 -38.87 63.71 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.008 1.276 . . . . 0.0 111.422 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.16 -40.94 99.01 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.304 1.042 . . . . 0.0 111.395 169.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.44 -25.3 66.67 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.218 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -60.81 -39.25 88.27 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 120.411 1.459 . . . . 0.0 111.445 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.9 mtt -62.21 -41.97 98.87 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.844 0.458 . . . . 0.0 111.156 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.6 mmm -70.42 -38.31 74.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 112.19 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.75 99.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.586 1.155 . . . . 0.0 111.988 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.16 -27.87 68.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.592 1.157 . . . . 0.0 112.86 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -75.51 -27.49 58.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.184 0.994 . . . . 0.0 112.981 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.2 mmt -66.11 133.28 50.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.781 0.832 . . . . 0.0 110.539 171.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -151.89 151.23 31.01 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -88.64 4.32 47.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.896 2.078 . . . . 0.0 114.616 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -67.71 170.03 8.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.862 1.665 . . . . 0.0 113.17 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -69.1 155.69 39.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.2 1.4 . . . . 0.0 113.717 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -162.66 145.55 11.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.954 1.702 . . . . 0.0 109.939 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -53.17 -40.91 64.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.414 1.086 . . . . 0.0 112.115 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 -20.17 64.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.169 0.987 . . . . 0.0 112.963 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -87.71 -46.12 9.76 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.591 1.156 . . . . 0.0 110.742 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.92 -40.08 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.649 0.78 . . . . 0.0 111.339 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.5 -38.23 83.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.776 0.831 . . . . 0.0 112.62 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.79 -33.86 75.64 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.471 0.708 . . . . 0.0 112.141 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.21 86.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.539 0.609 . . . . 0.0 110.764 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -64.54 -39.29 93.5 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.25 -36.31 83.24 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.584 0.629 . . . . 0.0 112.06 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.76 -37.76 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.391 1.076 . . . . 0.0 111.919 171.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -82.77 -23.12 34.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -78.49 73.21 5.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.559 1.143 . . . . 0.0 110.834 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.24 -18.68 65.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.072 1.349 . . . . 0.0 114.346 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -89.76 -20.03 24.03 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.901 1.28 . . . . 0.0 112.977 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.87 20.13 74.07 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.221 1.391 . . . . 0.0 114.363 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -78.01 -19.0 55.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.05 5.2 83.6 Favored Glycine 0 N--CA 1.477 1.415 0 C-N-CA 124.966 1.269 . . . . 0.0 113.971 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -141.93 151.53 42.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.439 1.895 . . . . 0.0 109.65 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.89 170.06 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.127 0.971 . . . . 0.0 110.253 170.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.9 p -85.08 158.21 20.49 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.9 -1.125 . . . . 0.0 112.724 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.22 74.9 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.489 -0.757 . . . . 0.0 111.66 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.92 97.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.553 0.741 . . . . 0.0 112.136 173.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.52 -48.2 78.54 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.606 0.762 . . . . 0.0 111.018 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.56 -43.47 98.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.973 0.806 . . . . 0.0 111.982 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -59.46 -47.52 85.18 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.677 0.671 . . . . 0.0 110.796 173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -64.68 -49.06 72.43 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.107 0.867 . . . . 0.0 112.186 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -16.36 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.75 -35.6 12.7 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.075 1.35 . . . . 0.0 113.563 171.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.3 p -87.46 -25.6 23.66 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.612 1.096 . . . . 0.0 113.715 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -96.64 -52.99 3.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.118 0.967 . . . . 0.0 112.287 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.12 159.6 15.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.021 1.328 . . . . 0.0 112.811 -171.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.23 -145.04 35.51 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.363 0.983 . . . . 0.0 111.276 -172.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.92 146.38 35.59 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 152.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -75.27 109.81 9.09 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.579 -1.326 . . . . 0.0 110.661 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.35 144.5 55.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.45 1.1 . . . . 0.0 111.113 -175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.36 146.63 50.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.589 1.156 . . . . 0.0 110.795 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.81 -32.61 72.92 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.8 -23.25 59.66 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.06 -45.95 14.55 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.664 1.186 . . . . 0.0 109.547 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -56.17 -51.5 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.434 1.094 . . . . 0.0 111.324 176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.15 -26.81 68.34 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.43 0.692 . . . . 0.0 112.699 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.21 -42.18 46.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.625 0.77 . . . . 0.0 111.587 171.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.68 -39.43 91.4 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.621 0.769 . . . . 0.0 111.737 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.1 mm -61.07 -56.92 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.071 1.348 . . . . 0.0 110.001 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -49.38 -53.54 21.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.711 1.204 . . . . 0.0 113.263 -170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.67 -20.96 61.15 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -172.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.7 -39.8 10.58 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.064 0.946 . . . . 0.0 112.816 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.92 -34.71 78.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.344 1.858 . . . . 0.0 112.891 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.98 -41.03 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.424 1.09 . . . . 0.0 110.93 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.58 -38.94 47.3 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.88 0.872 . . . . 0.0 113.106 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -92.62 6.32 77.36 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.08 1.324 . . . . 0.0 114.574 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.6 t0 55.05 57.13 5.83 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.61 1.964 . . . . 0.0 113.62 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.73 -15.62 62.38 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.415 1.483 . . . . 0.0 113.908 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -107.11 164.24 12.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.711 1.604 . . . . 0.0 109.982 167.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.25 111.98 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.714 1.605 . . . . 0.0 107.971 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.98 70.35 9.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.171 1.389 . . . . 0.0 110.811 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.77 -31.17 71.35 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.33 -34.84 74.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.002 1.321 . . . . 0.0 113.36 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.02 -28.66 16.25 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.375 1.07 . . . . 0.0 112.091 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -33.3 72.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.59 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.04 -44.06 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 124.666 1.186 . . . . 0.0 111.713 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.96 -44.6 54.3 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.384 0.538 . . . . 0.0 110.583 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -61.88 -22.83 65.89 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 76.7 mtm -77.94 -23.26 48.62 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.9 t -139.18 6.12 2.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -168.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.36 143.26 50.06 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.717 1.144 . . . . 0.0 112.738 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.976 1.71 . . . . 0.0 112.001 -172.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 CA-C-O 119.593 -0.56 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.35 158.19 54.94 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 124.103 3.202 . . . . 0.0 111.794 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.06 53.84 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.212 0.91 . . . . 0.0 113.702 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.8 m -63.84 -40.16 95.92 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.98 0.912 . . . . 0.0 110.766 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -60.81 -41.76 96.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.222 2.209 . . . . 0.0 111.64 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.44 -44.34 71.49 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.527 -0.733 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.1 m -69.5 -33.68 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.254 0.934 . . . . 0.0 112.099 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.4 m -62.15 -44.3 96.92 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.684 0.675 . . . . 0.0 111.764 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.67 87.94 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.58 -0.7 . . . . 0.0 111.762 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.7 mtm -65.12 -31.24 72.35 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.1 t -64.18 -45.81 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.823 1.192 . . . . 0.0 111.283 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.38 -43.67 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.259 0.624 . . . . 0.0 111.124 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.053 0.941 . . . . 0.0 112.079 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -68.32 -42.76 78.91 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.443 -0.785 . . . . 0.0 111.806 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.84 98.17 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.091 0.956 . . . . 0.0 111.919 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 59.7 t80 -67.63 -38.67 84.21 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.26 -28.68 68.23 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.22 -0.925 . . . . 0.0 112.726 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -70.54 -41.84 71.97 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.396 0.998 . . . . 0.0 111.95 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 74.4 t60 -57.94 -45.64 86.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.964 0.906 . . . . 0.0 112.103 171.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.66 -41.52 95.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.912 1.685 . . . . 0.0 112.441 172.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.93 -46.55 89.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.2 0.909 . . . . 0.0 111.942 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -78.66 -47.08 17.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.718 0.807 . . . . 0.0 113.157 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 44.2 m -115.36 -15.87 11.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -162.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 64.59 12.22 7.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.771 2.028 . . . . 0.0 114.518 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -65.72 -20.88 66.45 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -170.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 36.0 m80 -125.56 25.11 7.08 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.12 1.368 . . . . 0.0 112.657 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -73.53 37.4 0.09 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.311 1.844 . . . . 0.0 114.928 -173.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 15.9 m -73.3 -1.09 16.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.669 1.588 . . . . 0.0 113.655 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 82.8 t80 -62.35 -29.84 70.75 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.389 1.876 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.915 1.686 . . . . 0.0 111.513 179.526 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.535 0.207 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -119.79 -6.88 10.08 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.114 1.366 . . . . 0.0 112.867 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -149.8 177.05 10.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.147 1.779 . . . . 0.0 110.768 -168.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.86 158.65 34.05 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 p -103.83 161.79 13.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.445 1.498 . . . . 0.0 110.806 165.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.15 -31.84 70.47 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.709 0.804 . . . . 0.0 113.096 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.5 -21.47 60.4 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -80.44 -43.75 20.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.336 0.971 . . . . 0.0 110.662 168.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -56.2 -37.7 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.211 1.004 . . . . 0.0 111.879 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -25.03 67.91 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.458 1.103 . . . . 0.0 113.46 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -87.83 -43.46 11.82 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.168 0.987 . . . . 0.0 111.54 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.68 -28.3 69.81 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.73 0.696 . . . . 0.0 112.705 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.89 -36.36 70.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.683 0.793 . . . . 0.0 112.675 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.69 -44.66 81.17 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.679 0.792 . . . . 0.0 111.847 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.81 80.45 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.817 0.447 . . . . 0.0 112.196 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.21 -39.13 82.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.148 0.979 . . . . 0.0 112.494 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -28.99 70.06 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.16 -22.81 62.94 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.859 -1.151 . . . . 0.0 112.817 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -92.79 -12.99 29.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.363 1.465 . . . . 0.0 113.066 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -81.25 74.51 8.25 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.292 1.437 . . . . 0.0 110.777 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.56 -19.02 65.22 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.12 -16.47 19.53 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.665 1.186 . . . . 0.0 113.287 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 23.83 65.59 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.894 1.235 . . . . 0.0 113.809 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.02 -7.0 40.98 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.335 1.454 . . . . 0.0 114.018 -171.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 9.35 70.24 Favored Glycine 0 N--CA 1.473 1.134 0 C-N-CA 125.245 1.402 . . . . 0.0 114.062 -175.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -122.08 159.53 26.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.161 1.784 . . . . 0.0 112.068 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -119.79 159.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.532 1.133 . . . . 0.0 110.143 163.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -73.49 148.56 43.03 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 170.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -58.8 -32.9 69.77 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.047 0.939 . . . . 0.0 113.051 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -67.97 -19.65 64.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -86.73 -8.91 56.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.303 1.041 . . . . 0.0 113.172 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.64 -49.19 78.52 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.929 0.786 . . . . 0.0 111.13 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.05 73.16 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 123.093 0.377 . . . . 0.0 112.627 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -72.06 -48.92 40.79 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.74 -33.33 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.804 1.184 . . . . 0.0 112.48 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -57.86 -47.44 82.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.233 0.924 . . . . 0.0 111.475 170.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -72.87 -29.18 62.98 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.24 1.016 . . . . 0.0 112.991 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.5 m -68.63 -27.81 66.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.951 0.9 . . . . 0.0 112.664 171.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.0 4.31 34.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.423 1.489 . . . . 0.0 112.672 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.85 10.31 65.0 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.491 1.519 . . . . 0.0 115.443 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -88.13 162.83 16.52 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.719 1.26 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -147.56 50.06 0.86 Allowed Pre-proline 0 CA--C 1.556 1.186 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -69.54 164.83 32.86 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.627 2.885 . . . . 0.0 111.782 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -76.17 154.62 35.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.231 0.612 . . . . 0.0 109.823 176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.92 -32.28 71.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.955 0.902 . . . . 0.0 112.328 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.89 79.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.207 1.003 . . . . 0.0 112.801 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.08 -41.15 67.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.657 0.783 . . . . 0.0 110.684 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.33 -50.12 74.22 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.748 0.819 . . . . 0.0 110.791 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -60.24 -39.65 87.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.772 0.829 . . . . 0.0 112.49 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.24 -34.45 78.14 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -78.17 -38.99 42.26 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.504 -0.748 . . . . 0.0 111.309 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.74 -48.69 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.187 0.995 . . . . 0.0 109.882 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -61.73 -28.15 69.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.098 0.959 . . . . 0.0 113.186 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.36 -46.94 30.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.829 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -83.02 -24.9 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.94 38.49 0.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.785 1.234 . . . . 0.0 112.466 174.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.14 -24.46 67.9 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.307 1.443 . . . . 0.0 113.935 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.19 -16.32 60.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.907 1.283 . . . . 0.0 113.219 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.72 80.46 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.9 1.238 . . . . 0.0 113.728 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.58 -26.56 60.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 113.869 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.28 74.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.07 1.319 . . . . 0.0 113.17 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.1 p -137.27 161.18 36.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.925 1.69 . . . . 0.0 111.75 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.56 125.28 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.093 1.757 . . . . 0.0 108.557 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.22 153.78 22.4 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.459 1.104 . . . . 0.0 111.354 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -53.03 -48.75 90.71 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 -28.41 60.45 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.19 1.926 . . . . 0.0 113.695 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -74.26 -36.58 63.84 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.133 0.879 . . . . 0.0 111.488 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.8 -42.83 99.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.143 0.977 . . . . 0.0 112.127 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.45 -26.89 68.64 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -67.51 -31.88 72.31 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.017 1.281 . . . . 0.0 112.628 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -70.79 -27.5 63.95 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.65 0.78 . . . . 0.0 112.868 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.8 mmm -81.89 -46.11 14.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.695 1.198 . . . . 0.0 112.137 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.829 1.652 . . . . 0.0 113.576 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -62.25 -19.15 62.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.68 1.192 . . . . 0.0 113.707 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -91.36 -15.48 28.95 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.727 1.211 . . . . 0.0 113.809 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 mmt -99.47 6.88 45.82 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.158 1.383 . . . . 0.0 114.404 -171.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.96 150.7 23.77 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -139.8 37.46 1.99 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.328 2.251 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.9 149.06 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.782 1.633 . . . . 0.0 112.999 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -163.17 169.6 19.08 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.761 2.024 . . . . 0.0 111.667 167.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.0 t -163.21 149.52 12.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.385 1.474 . . . . 0.0 111.247 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.59 -30.96 56.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.863 1.265 . . . . 0.0 111.955 173.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.52 -40.01 88.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.716 0.806 . . . . 0.0 112.345 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.29 -36.0 58.58 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.538 0.735 . . . . 0.0 110.472 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.84 -44.97 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.015 0.926 . . . . 0.0 110.141 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -58.87 -44.22 91.03 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.551 -0.718 . . . . 0.0 112.048 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.62 -28.83 66.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.509 1.05 . . . . 0.0 112.958 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.31 82.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 110.449 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -63.72 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 171.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -63.54 -39.21 93.82 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.132 0.878 . . . . 0.0 111.886 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -61.62 -38.39 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.869 0.868 . . . . 0.0 112.393 170.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -81.35 -17.68 48.27 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -71.29 116.95 12.21 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.871 1.214 . . . . 0.0 110.057 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.73 -8.98 59.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.245 . . . . 0.0 114.227 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -129.16 -19.91 3.47 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.184 1.394 . . . . 0.0 114.014 -173.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.98 22.26 61.57 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.44 1.019 . . . . 0.0 113.034 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.7 -22.83 60.83 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.5 1.52 . . . . 0.0 114.377 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.65 74.34 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 125.172 1.367 . . . . 0.0 113.65 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -136.74 151.65 49.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.984 2.114 . . . . 0.0 110.804 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.48 159.07 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.903 1.281 . . . . 0.0 109.859 172.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 p -79.53 148.8 31.66 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.017 -1.052 . . . . 0.0 111.961 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.8 72.87 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.833 0.853 . . . . 0.0 112.108 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.56 85.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.251 1.02 . . . . 0.0 112.227 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.45 -47.4 76.29 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.998 0.519 . . . . 0.0 111.177 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.21 -47.66 84.49 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.84 0.745 . . . . 0.0 111.41 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.3 ttp-105 -56.33 -46.8 79.74 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 111.478 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.58 -45.22 91.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.476 0.71 . . . . 0.0 112.73 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.03 -53.93 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.173 0.589 . . . . 0.0 109.952 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.6 mmt -71.94 -20.72 61.71 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -167.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 p -88.18 -9.72 52.18 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 117.457 -1.258 . . . . 0.0 114.318 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.87 -24.04 2.45 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.96 154.84 19.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.891 1.276 . . . . 0.0 111.77 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.24 -136.39 34.74 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.348 0.975 . . . . 0.0 113.279 173.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -92.48 87.87 6.15 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.76 1.624 . . . . 0.0 108.47 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -53.73 138.92 34.16 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.596 1.158 . . . . 0.0 113.743 -165.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 mp -90.11 146.88 23.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.42 1.488 . . . . 0.0 112.292 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 m -71.94 159.9 33.46 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.954 1.701 . . . . 0.0 110.242 170.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -53.19 -42.71 66.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.939 1.296 . . . . 0.0 112.289 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.99 -28.33 66.51 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.66 -48.68 30.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.005 0.82 . . . . 0.0 109.879 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.02 -33.99 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.973 0.806 . . . . 0.0 112.634 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.96 -40.95 97.31 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.51 1.05 . . . . 0.0 111.416 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -71.29 -39.99 71.16 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 112.476 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttm -58.1 -50.37 73.69 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.68 0.673 . . . . 0.0 110.379 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.18 -40.21 88.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.488 0.715 . . . . 0.0 111.326 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -61.1 -38.5 86.52 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.729 1.15 . . . . 0.0 112.099 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -80.47 -27.9 37.72 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.81 -40.12 19.12 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.038 -1.038 . . . . 0.0 113.663 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -98.61 41.28 1.14 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.779 2.032 . . . . 0.0 111.908 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.4 pt -62.09 -16.27 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.982 -1.074 . . . . 0.0 113.576 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.8 -23.75 58.54 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.064 1.346 . . . . 0.0 113.091 171.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.55 -1.67 87.26 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.903 1.716 . . . . 0.0 115.935 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.46 -14.18 46.88 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.906 1.282 . . . . 0.0 113.676 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.41 0.69 67.13 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.303 1.43 . . . . 0.0 113.435 -173.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -103.43 129.22 50.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.046 1.338 . . . . 0.0 110.31 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -91.6 121.05 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.677 1.591 . . . . 0.0 109.421 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 -78.82 76.36 5.32 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.291 1.437 . . . . 0.0 109.57 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -64.09 -29.52 70.65 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.97 -46.67 88.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.847 0.859 . . . . 0.0 111.627 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.27 -25.82 36.25 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.787 -0.571 . . . . 0.0 112.408 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.66 -34.8 71.64 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.197 -0.94 . . . . 0.0 112.603 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.15 -54.7 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 118.547 0.612 . . . . 0.0 111.136 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.32 -32.85 72.23 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.19 -28.59 69.5 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -90.82 -29.12 17.76 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.4 p -83.82 -34.16 24.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 120.211 1.369 . . . . 0.0 113.155 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.81 173.14 10.88 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.996 0.918 . . . . 0.0 112.514 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.53 1.932 . . . . 0.0 112.957 -179.588 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 CA-C-O 118.999 -0.89 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.46 -35.54 45.74 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.732 3.621 . . . . 0.0 115.763 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -68.14 -18.72 71.37 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 123.932 0.777 . . . . 0.0 114.443 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 69.9 m -97.3 -42.16 7.91 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.955 0.878 . . . . 0.0 111.717 168.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.56 -38.29 90.55 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.119 -0.988 . . . . 0.0 112.842 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.79 -36.81 83.27 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.105 -0.997 . . . . 0.0 112.256 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.5 m -81.79 -30.48 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.021 0.528 . . . . 0.0 112.19 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.9 m -61.29 -43.39 98.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.81 0.732 . . . . 0.0 111.481 172.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.19 55.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.379 0.671 . . . . 0.0 110.782 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.9 mtm -57.21 -36.37 70.79 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 79.7 t -65.88 -40.9 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.193 0.597 . . . . 0.0 111.467 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.82 -40.79 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.469 -0.769 . . . . 0.0 110.956 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -66.66 -40.18 88.51 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.692 0.797 . . . . 0.0 111.677 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -62.69 -42.32 99.57 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.142 0.577 . . . . 0.0 111.716 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.52 89.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.748 0.819 . . . . 0.0 112.542 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -66.55 -39.03 88.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.239 0.615 . . . . 0.0 111.904 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.66 -34.99 76.66 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.242 -0.911 . . . . 0.0 112.235 175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -63.15 -40.37 97.35 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.362 0.983 . . . . 0.0 111.727 167.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.26 -50.12 74.9 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.169 0.895 . . . . 0.0 111.739 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.35 -35.95 82.55 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 112.912 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 50.3 tp -63.84 -44.24 93.77 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.677 0.791 . . . . 0.0 111.996 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -69.89 -34.14 73.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.818 0.735 . . . . 0.0 112.726 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -77.86 -48.05 17.35 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.956 1.302 . . . . 0.0 112.676 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 46.8 m -112.34 -18.87 12.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -166.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 70.23 -49.12 0.64 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.04 2.936 . . . . 0.0 113.803 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -76.61 -3.67 38.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.988 1.715 . . . . 0.0 113.362 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -55.76 -37.55 68.68 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.707 -1.246 . . . . 0.0 113.621 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -73.28 -18.15 61.25 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 12.5 m -80.73 -21.9 40.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.741 1.216 . . . . 0.0 112.869 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -82.07 -19.54 40.03 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.336 1.055 . . . . 0.0 113.191 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.729 1.612 . . . . 0.0 112.598 -176.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.702 0.287 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -140.36 -16.65 0.93 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.071 1.349 . . . . 0.0 113.26 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -82.06 172.0 13.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.972 2.509 . . . . 0.0 112.695 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.45 147.58 40.55 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 173.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.6 p -120.52 162.23 19.93 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.577 1.951 . . . . 0.0 110.56 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.28 -33.65 71.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.52 -21.98 61.84 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -83.97 -43.63 15.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.201 -0.937 . . . . 0.0 110.036 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.38 -39.55 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.333 1.053 . . . . 0.0 111.395 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.18 -26.04 68.12 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.163 0.985 . . . . 0.0 113.612 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -87.29 -42.0 13.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.431 1.092 . . . . 0.0 111.365 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -67.1 -28.5 68.22 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.635 0.774 . . . . 0.0 112.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -60.99 -42.12 97.82 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.636 1.175 . . . . 0.0 112.914 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.08 -38.42 88.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.427 0.691 . . . . 0.0 111.648 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.67 53.02 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.119 0.568 . . . . 0.0 112.04 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -58.57 -39.72 81.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.439 1.095 . . . . 0.0 112.284 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.8 m -70.0 -14.46 62.71 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.29 -32.05 55.22 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.78 1.173 . . . . 0.0 111.695 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -86.4 -10.21 54.77 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.475 1.51 . . . . 0.0 113.126 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -79.74 76.91 6.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.333 1.453 . . . . 0.0 110.228 167.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.94 -23.56 64.16 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -92.98 -17.04 24.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.017 1.327 . . . . 0.0 113.479 -178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.98 30.16 48.33 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.615 1.102 . . . . 0.0 113.066 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -102.02 -6.18 23.69 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.773 1.629 . . . . 0.0 114.143 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.11 11.5 67.22 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.971 1.272 . . . . 0.0 114.518 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.0 p -126.79 160.84 29.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.3 1.84 . . . . 0.0 111.419 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 pt -117.07 160.55 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.877 0.871 . . . . 0.0 110.31 165.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -72.58 150.3 43.23 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -55.62 -36.77 67.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.984 1.314 . . . . 0.0 112.301 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.78 -28.54 67.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.035 1.334 . . . . 0.0 113.677 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.68 -8.35 56.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.707 1.203 . . . . 0.0 113.14 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.71 -49.82 75.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.971 1.259 . . . . 0.0 111.405 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.68 -21.93 73.2 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.227 -0.763 . . . . 0.0 113.277 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 m -78.1 -50.66 11.59 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.66 1.23 . . . . 0.0 110.476 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.46 -38.46 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.058 0.845 . . . . 0.0 112.585 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.9 mtp -67.23 -40.42 86.34 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.703 1.138 . . . . 0.0 112.475 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -73.01 -28.24 62.25 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.806 -0.559 . . . . 0.0 112.506 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -69.33 -28.52 66.31 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.982 -1.074 . . . . 0.0 112.93 169.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -83.47 10.07 9.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.161 1.784 . . . . 0.0 112.561 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.41 12.84 82.03 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.623 1.106 . . . . 0.0 114.587 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -76.78 147.24 37.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.78 1.29 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -116.25 28.94 0.12 Allowed Pre-proline 0 CA--C 1.563 1.472 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -68.71 159.2 54.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.605 1.966 . . . . 0.0 110.884 171.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.9 p -72.2 166.17 22.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.266 0.626 . . . . 0.0 112.504 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.71 -33.85 70.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.965 0.506 . . . . 0.0 111.794 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -40.74 73.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.126 0.971 . . . . 0.0 112.637 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.7 -39.86 88.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.21 0.604 . . . . 0.0 111.455 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.16 -37.77 86.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.695 0.68 . . . . 0.0 111.868 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.2 -40.85 94.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.547 0.739 . . . . 0.0 111.274 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.67 -33.49 75.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.047 0.939 . . . . 0.0 112.831 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtt -66.03 -31.06 71.73 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.993 0.917 . . . . 0.0 112.098 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.13 -52.91 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.757 0.823 . . . . 0.0 109.418 171.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -55.55 -27.89 51.61 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -68.31 -23.64 64.75 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.079 1.351 . . . . 0.0 113.164 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.4 m -123.86 -24.85 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -88.72 8.63 27.8 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 113.456 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -28.47 69.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.209 1.403 . . . . 0.0 113.425 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.24 -0.5 56.81 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.883 1.273 . . . . 0.0 113.115 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.51 28.55 39.11 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.133 1.349 . . . . 0.0 113.585 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.21 -39.98 96.17 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.6 -7.84 23.63 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.533 1.54 . . . . 0.0 114.741 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.5 p -143.82 160.35 40.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.146 2.178 . . . . 0.0 111.006 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.4 130.91 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.906 1.682 . . . . 0.0 109.154 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -90.23 152.02 21.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.68 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -52.69 -51.85 69.77 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -170.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.92 -26.54 59.08 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.317 1.863 . . . . 0.0 113.554 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.44 -42.54 64.93 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.664 1.12 . . . . 0.0 110.955 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.1 -42.88 81.59 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.763 1.225 . . . . 0.0 112.247 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 -39.0 87.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.366 0.53 . . . . 0.0 112.374 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.3 m -64.3 -45.71 86.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.3 1.04 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.84 -31.46 72.43 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -65.4 -55.37 18.46 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.128 0.877 . . . . 0.0 110.99 170.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.96 73.87 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.16 -46.12 44.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.179 0.992 . . . . 0.0 112.959 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -94.18 -8.28 39.82 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -166.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.2 mtt -56.14 143.33 33.53 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.492 1.117 . . . . 0.0 111.983 166.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -170.43 153.02 4.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.737 2.015 . . . . 0.0 112.206 -166.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -143.95 27.16 1.48 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.719 2.008 . . . . 0.0 109.643 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 m -107.3 132.61 52.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.651 1.18 . . . . 0.0 111.239 -145.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.8 152.39 21.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.204 1.002 . . . . 0.0 113.52 -172.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.9 p -89.54 161.0 16.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.272 1.029 . . . . 0.0 112.4 173.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.29 -29.65 66.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.779 0.832 . . . . 0.0 112.354 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.25 -37.61 60.93 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.055 0.942 . . . . 0.0 111.817 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.93 -41.63 86.69 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.455 -0.778 . . . . 0.0 110.704 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 mt -65.04 -38.23 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.509 1.123 . . . . 0.0 110.849 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -60.55 -44.55 96.0 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.992 0.917 . . . . 0.0 112.617 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -65.24 -32.51 74.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.481 0.712 . . . . 0.0 112.217 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.28 -30.56 71.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 112.753 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -78.05 -36.92 47.88 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.557 -0.714 . . . . 0.0 112.354 168.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -62.52 -35.15 78.48 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.286 0.635 . . . . 0.0 112.516 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.27 -19.17 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.8 -0.35 55.88 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.017 1.327 . . . . 0.0 113.69 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -79.29 65.22 4.4 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.087 1.355 . . . . 0.0 110.876 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -63.61 -25.94 68.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.451 1.5 . . . . 0.0 113.929 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.64 -14.55 48.3 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.136 1.374 . . . . 0.0 113.482 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.03 11.75 83.77 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.862 1.22 . . . . 0.0 114.014 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -86.11 -18.27 32.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.861 1.265 . . . . 0.0 114.307 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.98 17.35 54.06 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.494 1.521 . . . . 0.0 114.022 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -139.65 155.95 47.11 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.655 1.582 . . . . 0.0 112.679 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.16 173.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.044 1.738 . . . . 0.0 109.654 167.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.4 p -105.46 162.2 13.67 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.408 -1.433 . . . . 0.0 112.454 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.93 74.69 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.085 -1.009 . . . . 0.0 111.525 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.85 81.31 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.67 0.788 . . . . 0.0 112.356 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.07 -44.85 91.16 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.497 0.719 . . . . 0.0 110.661 173.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.3 mt -56.63 -41.32 76.91 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.173 0.897 . . . . 0.0 112.229 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -66.47 -9.67 36.71 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -110.14 -52.73 2.75 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.994 1.317 . . . . 0.0 112.131 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.06 -23.85 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.636 1.174 . . . . 0.0 113.21 -170.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.8 mmt -87.89 -13.85 40.91 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.466 1.107 . . . . 0.0 113.751 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -115.55 3.12 13.96 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -165.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.36 -18.9 0.87 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.34 127.05 41.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.527 1.131 . . . . 0.0 110.34 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.31 -140.51 37.54 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.65 0.643 . . . . 0.0 111.805 -174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.54 150.87 48.35 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.16 0.505 . . . . 0.0 110.701 164.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -94.46 127.45 40.38 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.983 -1.073 . . . . 0.0 112.216 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.3 tp -73.32 140.61 46.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.7 0.8 . . . . 0.0 110.823 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -66.51 150.62 48.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.767 1.627 . . . . 0.0 110.937 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.33 -29.25 70.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.875 1.27 . . . . 0.0 113.961 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.52 -35.73 45.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.66 0.784 . . . . 0.0 111.671 172.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -75.6 -40.81 55.89 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.977 0.911 . . . . 0.0 111.709 -178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.52 -32.69 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.56 1.073 . . . . 0.0 111.654 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.14 -39.96 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.333 -0.854 . . . . 0.0 112.072 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.72 -33.86 74.65 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.973 0.909 . . . . 0.0 112.015 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.3 ttm -59.29 -47.29 85.93 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.234 -0.916 . . . . 0.0 110.93 168.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.47 -28.22 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.057 0.943 . . . . 0.0 113.189 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -52.1 -37.82 55.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.434 1.015 . . . . 0.0 112.502 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -11.21 34.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.695 1.198 . . . . 0.0 113.609 175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -38.3 14.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.935 1.243 . . . . 0.0 113.005 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -75.48 -1.91 26.38 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.35 1.86 . . . . 0.0 114.501 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.3 pt -61.58 -14.75 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.638 1.575 . . . . 0.0 114.901 -176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.71 -29.88 70.88 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.995 1.718 . . . . 0.0 112.893 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.32 -21.11 26.59 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.927 1.727 . . . . 0.0 115.445 172.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -11.41 54.6 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.207 1.504 . . . . 0.0 113.539 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.21 -10.01 76.04 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.297 1.427 . . . . 0.0 113.429 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -84.17 149.05 26.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.161 1.384 . . . . 0.0 109.997 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 84.6 t -121.05 119.33 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.1 1.76 . . . . 0.0 108.403 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.59 96.89 5.59 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 162.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -66.65 -22.54 66.1 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.97 -44.03 97.59 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.748 1.219 . . . . 0.0 111.737 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.16 -29.69 57.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.815 0.846 . . . . 0.0 112.336 170.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.55 -37.07 85.91 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.025 -1.047 . . . . 0.0 112.345 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.03 -51.22 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.873 0.869 . . . . 0.0 110.244 168.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -63.25 -38.87 92.84 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.37 0.668 . . . . 0.0 112.174 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.1 mtm -68.85 -33.95 74.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 112.847 174.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.7 ttm -71.53 -43.33 66.63 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.682 0.793 . . . . 0.0 111.984 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 65.1 p -91.65 4.22 53.21 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.01 1.324 . . . . 0.0 114.115 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.58 136.84 49.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.942 1.297 . . . . 0.0 112.78 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 C--O 1.249 1.044 0 C-N-CA 126.505 1.922 . . . . 0.0 111.521 -176.879 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.669 -0.517 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.28 157.69 56.4 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 124.376 3.384 . . . . 0.0 111.798 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -77.02 164.96 53.24 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 123.934 0.778 . . . . 0.0 114.024 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 17.4 m -64.36 -39.98 94.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.51 0.724 . . . . 0.0 111.058 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.1 -38.17 90.12 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.388 1.875 . . . . 0.0 111.783 172.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.6 -46.93 62.47 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.361 -0.837 . . . . 0.0 111.625 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -67.52 -32.51 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.739 0.7 . . . . 0.0 111.548 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 60.6 m -62.27 -45.86 91.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.516 1.053 . . . . 0.0 112.082 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.59 86.18 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.51 -0.744 . . . . 0.0 111.336 173.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.5 mtm -66.76 -31.0 71.36 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 8.8 t -65.26 -44.78 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.464 1.105 . . . . 0.0 111.315 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.2 mt -66.33 -41.0 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.464 0.575 . . . . 0.0 110.825 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -62.47 -40.93 98.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.618 0.767 . . . . 0.0 111.833 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -65.81 -42.45 90.64 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.113 -0.992 . . . . 0.0 111.187 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.68 88.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.944 0.898 . . . . 0.0 112.502 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 55.7 t80 -67.77 -41.52 83.17 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.879 -0.513 . . . . 0.0 111.704 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -63.59 -35.81 81.74 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.006 -1.058 . . . . 0.0 112.188 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.56 -40.66 84.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.084 0.954 . . . . 0.0 111.944 172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.83 -42.83 94.4 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.867 0.867 . . . . 0.0 111.731 172.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.06 -35.79 81.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.019 0.928 . . . . 0.0 112.709 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.61 -42.37 98.21 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.841 0.746 . . . . 0.0 111.276 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -73.82 -11.62 60.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -81.56 -38.32 26.34 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.106 0.962 . . . . 0.0 113.138 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.2 p -106.12 -26.6 11.54 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 2.9 mm? 63.2 -71.26 0.06 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.919 2.888 . . . . 0.0 113.629 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 72.1 tttt -160.4 34.06 0.16 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.576 1.55 . . . . 0.0 112.57 -168.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 75.8 t60 -59.95 144.05 50.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.703 -1.248 . . . . 0.0 112.387 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -157.61 165.37 35.7 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.603 1.561 . . . . 0.0 112.754 -174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 8.5 t -165.01 -179.26 5.62 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.937 1.695 . . . . 0.0 111.267 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 65.0 t80 -68.2 -29.56 68.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.752 1.221 . . . . 0.0 113.06 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.184 1.794 . . . . 0.0 111.602 177.109 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 121.199 0.523 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.97 10.21 39.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.149 1.779 . . . . 0.0 113.043 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -152.74 163.87 38.86 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.101 1.76 . . . . 0.0 109.996 -169.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.57 151.07 42.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.311 1.044 . . . . 0.0 113.677 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.0 p -132.05 159.86 37.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.292 1.837 . . . . 0.0 111.347 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.76 -39.69 74.48 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.327 1.051 . . . . 0.0 112.651 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.99 -22.8 63.1 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -84.34 -44.48 13.75 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.57 0.748 . . . . 0.0 110.675 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.5 mt -56.73 -39.25 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.589 1.156 . . . . 0.0 111.636 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.82 -25.22 68.15 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.247 1.019 . . . . 0.0 113.639 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -90.37 -37.24 14.14 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.246 1.018 . . . . 0.0 112.036 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -63.9 -28.73 70.03 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.428 -0.795 . . . . 0.0 112.976 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.7 tppt? -54.64 -40.64 69.2 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.598 1.159 . . . . 0.0 112.378 170.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.28 -42.88 78.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.677 0.791 . . . . 0.0 112.12 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.96 75.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.129 0.572 . . . . 0.0 112.21 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -64.01 -34.49 78.12 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.058 0.943 . . . . 0.0 112.115 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 t -62.17 -31.16 71.63 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.804 1.242 . . . . 0.0 113.88 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -25.26 61.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.695 -1.253 . . . . 0.0 112.811 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -90.51 -15.58 30.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.166 1.387 . . . . 0.0 112.509 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -78.16 69.22 4.34 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.822 1.649 . . . . 0.0 110.948 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -65.73 -24.88 67.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.055 1.342 . . . . 0.0 114.101 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -85.54 -19.49 31.06 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 113.109 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.3 9.87 86.57 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.81 1.195 . . . . 0.0 113.86 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -91.2 -13.14 33.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.025 1.73 . . . . 0.0 113.741 -173.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 19.63 17.17 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.116 1.341 . . . . 0.0 115.099 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -128.61 153.29 47.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.462 1.505 . . . . 0.0 111.695 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -115.49 162.42 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 125.088 1.355 . . . . 0.0 110.832 169.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -73.02 151.13 41.87 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.433 -0.792 . . . . 0.0 109.075 168.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -57.33 -36.69 71.47 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.364 1.066 . . . . 0.0 111.751 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.12 -24.04 67.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.955 1.302 . . . . 0.0 113.776 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.85 -7.77 57.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.901 1.28 . . . . 0.0 112.613 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.51 -50.03 75.19 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.981 -1.075 . . . . 0.0 111.72 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.5 63.26 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.391 0.519 . . . . 0.0 112.852 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 -44.99 19.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.089 1.356 . . . . 0.0 110.771 173.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.18 -28.85 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 120.377 1.444 . . . . 0.0 112.243 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -56.94 -56.57 20.02 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.169 0.987 . . . . 0.0 110.765 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -67.99 -30.25 69.47 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -63.63 -36.2 83.05 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.88 -1.137 . . . . 0.0 112.712 171.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.54 -4.26 55.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.187 1.395 . . . . 0.0 114.033 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 9.59 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.831 1.205 . . . . 0.0 114.314 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.9 146.71 33.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.341 1.056 . . . . 0.0 109.83 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -128.92 48.44 3.64 Favored Pre-proline 0 CA--C 1.556 1.189 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -65.29 149.89 87.94 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.731 2.287 . . . . 0.0 110.746 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -71.88 167.26 20.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.713 0.805 . . . . 0.0 111.917 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.94 -37.17 71.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.722 0.809 . . . . 0.0 111.518 169.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.31 79.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 112.557 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.4 -44.33 91.62 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.593 0.633 . . . . 0.0 111.783 174.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.93 -49.31 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.511 0.724 . . . . 0.0 110.88 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -65.23 -38.65 91.03 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.044 -0.503 . . . . 0.0 112.043 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.09 -34.74 78.73 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.563 1.074 . . . . 0.0 112.84 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -71.62 -41.65 68.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.57 0.623 . . . . 0.0 110.565 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.58 -46.59 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.96 0.904 . . . . 0.0 110.582 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -57.66 -31.95 66.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.599 1.159 . . . . 0.0 112.635 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -79.71 -48.85 12.97 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.633 0.773 . . . . 0.0 112.234 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -80.58 -26.18 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -174.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -95.64 27.8 3.29 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.924 1.29 . . . . 0.0 112.848 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.87 64.33 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -84.99 -12.22 53.73 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 113.441 173.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.73 12.01 82.09 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.195 1.379 . . . . 0.0 115.747 171.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.74 -22.69 64.3 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.956 1.378 . . . . 0.0 114.353 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.38 9.27 85.16 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.404 1.478 . . . . 0.0 114.054 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -134.45 159.82 39.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.741 1.616 . . . . 0.0 112.565 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.3 mt -128.46 130.99 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.165 1.786 . . . . 0.0 109.176 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -92.22 151.96 20.09 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.083 1.753 . . . . 0.0 111.085 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 34.1 t80 -50.37 -52.76 51.77 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -171.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.73 -24.51 47.37 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.482 2.121 . . . . 0.0 113.591 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.29 -38.51 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.207 0.912 . . . . 0.0 111.016 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -63.89 -39.93 95.33 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.518 1.127 . . . . 0.0 112.08 169.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.39 -34.46 78.21 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.908 -1.12 . . . . 0.0 112.539 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 m -61.85 -41.57 97.99 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.07 0.948 . . . . 0.0 111.233 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ptp -75.28 -32.52 61.04 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.279 0.945 . . . . 0.0 112.975 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 86.1 mmm -64.88 -33.9 77.1 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.096 0.862 . . . . 0.0 112.735 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.11 79.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.259 1.024 . . . . 0.0 112.748 175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -66.42 -33.4 75.61 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.492 1.117 . . . . 0.0 112.535 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -71.26 -15.9 62.46 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.82 -3.43 58.64 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -63.17 108.54 1.29 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.498 1.045 . . . . 0.0 113.419 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -78.01 -32.73 51.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.8 1.24 . . . . 0.0 111.849 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 t -73.67 174.49 8.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 111.758 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -145.59 155.26 42.93 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.566 1.546 . . . . 0.0 110.682 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.3 m -78.53 126.53 30.89 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.78 0.832 . . . . 0.0 112.113 -170.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.77 -40.77 73.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.623 1.169 . . . . 0.0 112.384 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.83 -34.68 78.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.048 0.939 . . . . 0.0 112.687 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -69.81 -41.25 75.27 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.265 0.938 . . . . 0.0 110.41 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.2 -41.7 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.628 0.771 . . . . 0.0 110.097 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -65.45 -43.26 90.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.634 0.652 . . . . 0.0 112.154 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.71 -36.31 76.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.744 0.818 . . . . 0.0 112.412 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.7 70.25 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -80.43 -38.96 29.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.076 0.853 . . . . 0.0 112.928 167.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -58.2 -34.52 70.46 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.992 0.917 . . . . 0.0 112.714 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.06 -26.6 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.76 -12.88 40.9 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.374 1.07 . . . . 0.0 113.144 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.73 127.76 32.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.952 0.901 . . . . 0.0 110.225 172.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.94 -10.31 59.28 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.441 1.096 . . . . 0.0 113.845 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -131.08 -14.08 3.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.463 1.905 . . . . 0.0 113.555 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.1 8.97 85.82 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.353 1.454 . . . . 0.0 113.563 -171.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -67.06 -24.39 65.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.671 1.988 . . . . 0.0 115.485 -166.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.05 12.63 17.6 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.376 1.465 . . . . 0.0 114.382 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -139.26 140.47 37.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.893 1.277 . . . . 0.0 114.281 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.93 158.42 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.419 1.888 . . . . 0.0 109.839 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 m -78.01 149.05 34.1 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.142 -0.974 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.53 98.69 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.749 -1.219 . . . . 0.0 112.448 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.474 -0.767 . . . . 0.0 111.952 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.98 -49.66 73.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.89 1.676 . . . . 0.0 111.324 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.99 -46.79 85.99 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.488 -0.758 . . . . 0.0 111.242 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -55.71 -45.44 77.9 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.526 0.731 . . . . 0.0 111.547 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.86 -45.03 65.18 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.93 -26.26 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.467 -1.396 . . . . 0.0 112.246 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.94 -34.88 62.15 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.685 1.194 . . . . 0.0 113.819 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.3 p -84.85 -22.9 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.228 0.922 . . . . 0.0 112.803 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -99.69 -40.04 7.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -170.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.7 157.95 15.67 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.613 1.165 . . . . 0.0 112.584 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.39 -147.98 46.5 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.312 1.434 . . . . 0.0 113.82 168.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.78 122.03 18.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 157.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -75.34 119.74 19.86 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.741 -0.6 . . . . 0.0 111.856 -166.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.1 153.91 31.77 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.781 0.832 . . . . 0.0 110.504 175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.7 p -86.98 156.62 19.7 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.874 1.269 . . . . 0.0 112.821 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -55.94 -39.18 71.34 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.926 1.29 . . . . 0.0 112.808 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.14 -34.68 76.79 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.792 0.837 . . . . 0.0 112.206 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -77.18 -44.91 28.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.8 m -67.47 -29.06 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.66 1.118 . . . . 0.0 112.513 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.11 -41.21 90.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.514 1.052 . . . . 0.0 111.582 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -70.05 -33.13 71.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.13 0.572 . . . . 0.0 111.987 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.3 ttm -64.75 -47.65 77.45 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.465 -0.772 . . . . 0.0 110.909 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 14.4 mm -61.57 -44.8 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.552 1.141 . . . . 0.0 111.362 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -52.52 -40.4 62.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.879 1.272 . . . . 0.0 112.414 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -91.77 -27.35 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.55 -42.37 12.11 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -175.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -73.61 -24.51 60.05 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.337 -0.852 . . . . 0.0 112.919 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 pt -70.94 -10.92 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -73.44 -26.98 61.18 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.882 0.764 . . . . 0.0 112.099 169.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -118.98 -136.58 5.4 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.792 2.139 . . . . 0.0 111.535 173.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -165.16 112.19 0.97 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.327 1.851 . . . . 0.0 110.189 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.73 -38.35 1.48 Allowed Glycine 0 N--CA 1.476 1.318 0 C-N-CA 125.902 1.715 . . . . 0.0 113.644 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -101.51 133.98 45.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.245 1.418 . . . . 0.0 109.394 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.85 121.01 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.909 1.683 . . . . 0.0 109.102 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.04 97.24 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 165.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -73.6 -25.44 60.33 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.29 -43.91 98.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.959 0.904 . . . . 0.0 111.615 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -74.9 -34.96 62.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.85 0.86 . . . . 0.0 111.87 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -63.16 -36.48 83.76 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.389 -0.819 . . . . 0.0 112.87 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.1 t -55.28 -33.55 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.795 0.838 . . . . 0.0 112.627 174.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.22 -46.06 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.183 0.901 . . . . 0.0 111.786 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 22.9 ptp -74.31 -11.77 60.36 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.7 mtm -84.25 -37.91 21.15 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 170.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 46.5 p -92.85 -27.35 17.19 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.81 1.244 . . . . 0.0 113.775 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -139.83 -155.26 0.57 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.466 1.506 . . . . 0.0 111.934 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt . . . . . 0 C--O 1.254 1.338 0 C-N-CA 130.128 3.371 . . . . 0.0 113.493 178.715 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 CA-C-O 119.624 -0.542 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.03 163.81 37.27 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.314 3.343 . . . . 0.0 111.872 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -144.6 154.87 26.08 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 125.087 1.327 . . . . 0.0 113.386 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 46.7 m -67.51 -33.07 74.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.894 1.278 . . . . 0.0 111.485 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -46.62 -44.57 18.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.336 2.254 . . . . 0.0 113.376 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.44 -35.73 78.02 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.656 -0.653 . . . . 0.0 112.208 -174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.8 m -87.23 -29.13 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.887 0.875 . . . . 0.0 112.754 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 67.8 m -64.36 -39.19 93.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.124 -0.985 . . . . 0.0 111.645 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.5 -23.76 51.98 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 174.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.96 -17.3 35.75 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 97.3 t -82.11 -41.51 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.301 0.955 . . . . 0.0 111.131 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.56 -43.03 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.561 -0.712 . . . . 0.0 110.754 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.01 -29.29 68.26 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.91 -44.84 91.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.524 1.056 . . . . 0.0 111.036 170.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.55 76.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.957 0.903 . . . . 0.0 111.901 175.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.48 -36.8 71.27 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.985 -1.072 . . . . 0.0 112.939 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -63.44 -32.69 74.21 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.535 -1.353 . . . . 0.0 111.88 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -69.84 -42.7 73.24 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.421 1.088 . . . . 0.0 111.819 170.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -52.69 -48.95 66.21 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.822 -1.174 . . . . 0.0 112.079 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.48 -39.21 90.1 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.524 0.73 . . . . 0.0 111.833 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 33.3 tp -62.05 -38.37 88.52 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.173 0.989 . . . . 0.0 112.306 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -79.25 -39.48 33.0 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.718 0.69 . . . . 0.0 112.325 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -68.28 -49.29 61.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.546 1.538 . . . . 0.0 112.136 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.8 m -113.58 6.96 17.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.119 1.368 . . . . 0.0 113.481 -167.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 70.09 -18.02 0.24 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 129.867 3.267 . . . . 0.0 114.285 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -142.43 175.24 9.93 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 129.272 3.029 . . . . 0.0 109.353 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.44 52.13 1.12 Allowed 'General case' 0 CA--C 1.555 1.138 0 O-C-N 120.283 -1.51 . . . . 0.0 113.165 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . 71.13 -36.79 0.37 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 129.177 2.991 . . . . 0.0 115.394 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 37.6 m -66.95 -8.98 33.65 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -174.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 69.8 t80 -74.86 -17.46 60.59 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.349 1.46 . . . . 0.0 113.353 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 C--O 1.255 1.36 0 C-N-CA 125.94 1.696 . . . . 0.0 113.214 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.43 0.157 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -137.38 -18.21 1.29 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.688 1.195 . . . . 0.0 113.461 -176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -169.83 161.51 9.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.084 0.954 . . . . 0.0 110.922 -158.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.12 166.04 23.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.737 0.815 . . . . 0.0 112.623 168.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -117.97 158.07 25.59 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.692 1.597 . . . . 0.0 110.841 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.82 -31.53 70.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.34 -24.51 63.0 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.971 0.909 . . . . 0.0 113.239 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -80.17 -45.76 17.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.352 0.661 . . . . 0.0 109.94 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.44 -35.31 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.062 0.945 . . . . 0.0 111.561 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.66 70.65 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.2 1.0 . . . . 0.0 113.624 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.79 -38.89 20.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.1 0.96 . . . . 0.0 111.441 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -65.82 -33.11 75.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.728 0.811 . . . . 0.0 111.813 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 65' ' ' PHE . 3.8 tppp? -55.81 -46.97 77.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.421 1.088 . . . . 0.0 111.415 170.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.62 -42.63 95.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.627 0.771 . . . . 0.0 111.447 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.59 80.66 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -66.94 -35.22 79.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.038 0.935 . . . . 0.0 112.229 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -61.55 -31.09 71.1 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.68 1.192 . . . . 0.0 113.291 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -27.99 67.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.455 -0.778 . . . . 0.0 112.06 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -92.59 -16.95 25.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.439 1.496 . . . . 0.0 112.944 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.02 72.0 4.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.111 1.364 . . . . 0.0 111.427 172.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -64.7 -31.17 72.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.387 1.075 . . . . 0.0 113.607 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.05 -16.64 35.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.875 1.27 . . . . 0.0 113.35 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 8.73 87.07 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.852 1.215 . . . . 0.0 114.372 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -86.93 -11.95 49.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.363 1.465 . . . . 0.0 113.47 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.53 27.97 12.19 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.325 1.441 . . . . 0.0 113.804 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.5 p -132.89 154.27 50.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.089 1.356 . . . . 0.0 112.565 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.81 164.75 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.283 1.833 . . . . 0.0 110.139 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -80.78 164.47 22.7 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.201 0.91 . . . . 0.0 110.656 165.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -63.44 -19.68 64.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.072 0.949 . . . . 0.0 111.464 170.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -74.15 -18.58 60.77 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.04 -9.91 23.31 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.742 1.617 . . . . 0.0 112.755 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.89 -49.94 75.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.013 0.925 . . . . 0.0 111.049 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.26 -26.34 70.46 Favored Glycine 0 N--CA 1.471 1.014 0 O-C-N 121.593 -0.692 . . . . 0.0 113.488 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -74.44 -48.58 26.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.887 1.275 . . . . 0.0 110.837 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -29.7 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.888 0.767 . . . . 0.0 112.814 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 mmt -56.98 -52.28 65.87 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.296 0.953 . . . . 0.0 111.173 168.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.71 -30.93 67.61 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.817 . . . . 0.0 112.76 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -66.83 -28.52 68.42 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.303 -0.873 . . . . 0.0 112.825 173.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.82 -0.15 54.54 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.136 1.374 . . . . 0.0 113.109 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 8.57 77.65 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.037 1.303 . . . . 0.0 114.627 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -82.72 149.54 27.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.736 1.268 . . . . 0.0 110.206 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -123.87 49.76 3.0 Favored Pre-proline 0 CA--C 1.557 1.217 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.41 150.24 80.68 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.768 2.312 . . . . 0.0 111.013 175.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -74.4 169.66 17.25 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 111.432 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.74 -32.97 67.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.808 0.443 . . . . 0.0 111.932 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.69 65.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.35 1.06 . . . . 0.0 112.397 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -69.24 -32.99 72.59 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.621 0.646 . . . . 0.0 112.06 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.41 -47.64 72.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.231 0.612 . . . . 0.0 111.145 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.11 -39.49 86.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.806 0.73 . . . . 0.0 111.834 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.44 -34.72 74.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.803 1.241 . . . . 0.0 113.28 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.7 mtm -78.99 -46.77 17.54 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.774 0.829 . . . . 0.0 111.555 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -62.24 -50.39 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.278 1.031 . . . . 0.0 111.23 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -21.78 65.96 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.718 1.144 . . . . 0.0 113.264 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.21 -47.95 46.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.66 0.784 . . . . 0.0 111.076 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.43 -31.97 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.836 0.744 . . . . 0.0 112.782 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.25 5.07 11.12 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.708 1.203 . . . . 0.0 113.611 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.21 -21.01 66.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.499 0.72 . . . . 0.0 112.391 167.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.15 -21.03 61.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.042 1.737 . . . . 0.0 113.152 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.15 72.62 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.233 1.397 . . . . 0.0 116.093 170.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -81.96 -11.81 58.68 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.484 1.642 . . . . 0.0 115.012 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.95 6.24 88.77 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 124.371 0.986 . . . . 0.0 115.532 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -128.74 163.63 24.72 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.797 . . . . 0.0 111.172 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.28 129.1 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.92 2.088 . . . . 0.0 108.312 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.24 158.79 16.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.58 1.152 . . . . 0.0 112.709 172.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE2' ' HE3' ' A' ' 13' ' ' LYS . 41.6 t80 -56.95 -48.5 97.32 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.851 -176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -54.09 -43.93 53.92 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.607 2.205 . . . . 0.0 114.286 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -66.54 -42.82 86.6 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.914 0.886 . . . . 0.0 112.067 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -56.6 -48.92 76.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.868 1.267 . . . . 0.0 111.246 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.6 -33.18 74.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.668 0.787 . . . . 0.0 112.891 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.0 m -65.92 -50.1 65.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.183 0.993 . . . . 0.0 111.013 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.54 -32.69 71.66 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.675 0.671 . . . . 0.0 112.669 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 46.8 mmm -61.59 -45.25 94.9 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.157 0.89 . . . . 0.0 112.403 171.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.11 92.04 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.475 1.11 . . . . 0.0 112.028 176.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -61.81 -30.02 70.54 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.088 0.955 . . . . 0.0 112.412 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -69.61 -21.87 63.54 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.062 -1.024 . . . . 0.0 113.744 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mmt -86.02 -7.5 58.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.75 1.22 . . . . 0.0 113.964 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -67.22 123.04 19.19 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.889 0.876 . . . . 0.0 113.214 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -149.4 70.3 1.07 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.085 2.154 . . . . 0.0 108.695 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.0 t -155.22 148.48 24.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.121 1.369 . . . . 0.0 111.266 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.84 172.03 9.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.618 1.967 . . . . 0.0 112.777 167.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 p -146.43 163.06 36.86 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.286 1.434 . . . . 0.0 111.31 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.56 -37.76 65.85 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.549 -0.719 . . . . 0.0 112.444 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.22 -42.69 79.4 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.557 0.743 . . . . 0.0 111.703 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.87 -42.22 90.63 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.44 -0.787 . . . . 0.0 110.953 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.8 mt -65.37 -43.73 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.744 0.818 . . . . 0.0 110.361 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -60.41 -43.47 96.68 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.528 0.604 . . . . 0.0 111.924 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.09 -34.55 78.29 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.311 0.505 . . . . 0.0 112.333 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.05 97.4 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.407 -0.808 . . . . 0.0 111.554 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -68.21 -35.29 77.75 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.575 0.584 . . . . 0.0 112.575 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -63.03 -38.19 90.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.209 1.004 . . . . 0.0 111.851 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 36.2 t -57.89 -31.61 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.037 0.935 . . . . 0.0 111.943 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.31 -3.72 53.0 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -90.2 104.12 16.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.66 1.184 . . . . 0.0 109.699 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -76.27 -13.94 60.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.426 1.09 . . . . 0.0 113.37 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -112.22 -23.06 10.62 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.314 1.446 . . . . 0.0 113.433 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.98 18.3 75.18 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.623 1.106 . . . . 0.0 112.932 -171.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.92 -17.78 58.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.835 1.654 . . . . 0.0 114.642 -171.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.04 69.87 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.92 1.248 . . . . 0.0 113.505 -172.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -136.86 149.12 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.035 1.734 . . . . 0.0 112.047 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.1 pt -133.53 161.78 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.292 1.437 . . . . 0.0 111.145 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.2 m -76.21 141.8 41.68 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.881 -1.137 . . . . 0.0 111.962 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.7 93.66 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.503 -0.748 . . . . 0.0 112.764 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.39 80.87 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.574 0.749 . . . . 0.0 112.32 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.3 -49.1 68.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.862 0.865 . . . . 0.0 110.753 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.83 -39.53 85.4 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 0.894 . . . . 0.0 111.903 173.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -62.52 -41.86 99.13 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.702 -0.624 . . . . 0.0 111.565 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -72.75 -43.05 63.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.219 1.007 . . . . 0.0 113.343 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -23.72 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.476 -1.39 . . . . 0.0 113.079 -173.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.6 mmt -81.08 -18.05 47.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.986 1.714 . . . . 0.0 114.071 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -115.65 -12.64 11.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.112 1.365 . . . . 0.0 113.695 -175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -101.17 -33.61 10.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.546 1.138 . . . . 0.0 114.046 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.9 mt -112.72 150.91 30.89 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.337 1.455 . . . . 0.0 112.419 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.69 -151.82 50.68 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.665 1.126 . . . . 0.0 113.475 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.15 142.48 50.71 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 160.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -93.43 138.77 31.42 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -167.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.52 153.06 25.75 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.029 0.931 . . . . 0.0 110.693 167.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -77.34 153.41 33.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.577 1.151 . . . . 0.0 112.128 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.53 -38.5 87.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.05 -29.44 67.58 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.68 0.792 . . . . 0.0 112.727 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.86 -47.1 9.99 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.575 1.15 . . . . 0.0 110.805 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.18 -32.89 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.89 1.223 . . . . 0.0 112.596 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.61 -36.3 83.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.207 -0.933 . . . . 0.0 112.116 174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -74.93 -37.34 62.05 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.844 0.858 . . . . 0.0 111.566 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 54.8 ttm -53.97 -45.05 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.112 0.965 . . . . 0.0 111.325 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.8 mm -67.58 -51.36 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 122.999 0.52 . . . . 0.0 110.871 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -54.8 -42.9 72.35 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.709 0.804 . . . . 0.0 112.718 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -84.27 -11.22 56.81 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.4 -39.08 10.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.213 1.005 . . . . 0.0 112.649 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.15 -29.93 71.02 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.54 1.536 . . . . 0.0 113.122 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 pt -69.03 -17.52 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.566 1.146 . . . . 0.0 113.613 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.88 -7.1 19.61 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.032 1.733 . . . . 0.0 113.005 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -101.42 -149.39 22.71 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 127.01 2.243 . . . . 0.0 113.068 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -158.5 55.84 0.45 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.83 1.252 . . . . 0.0 110.968 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.93 -42.69 2.53 Favored Glycine 0 N--CA 1.471 1.005 0 C-N-CA 125.184 1.373 . . . . 0.0 112.139 -170.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -84.53 151.35 24.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.734 1.214 . . . . 0.0 109.84 161.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.6 t -85.16 124.48 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 126.116 1.766 . . . . 0.0 110.018 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -80.62 67.39 6.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.555 1.542 . . . . 0.0 111.018 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -61.99 -31.32 71.67 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.6 -29.07 69.8 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.74 -42.11 18.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.634 0.774 . . . . 0.0 111.304 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.76 -31.43 70.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.901 0.88 . . . . 0.0 113.1 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.0 t -44.29 -50.34 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.138 1.375 . . . . 0.0 111.564 166.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -86.07 -30.86 22.27 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.693 0.797 . . . . 0.0 111.876 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.9 mtm -65.66 -24.23 66.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.691 0.678 . . . . 0.0 112.656 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.3 mtm -75.68 -44.27 43.16 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.658 0.783 . . . . 0.0 113.04 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 44.2 p -77.07 -28.49 54.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.767 0.827 . . . . 0.0 113.067 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.89 170.76 11.36 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.457 1.503 . . . . 0.0 113.194 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 127.359 2.263 . . . . 0.0 109.874 172.507 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 119.636 -0.535 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.03 164.7 32.79 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.73 2.953 . . . . 0.0 111.871 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 89.73 -16.74 55.87 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 114.938 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 49.3 m -66.41 -33.12 74.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.512 1.156 . . . . 0.0 111.235 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.6 -40.08 74.69 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.271 1.828 . . . . 0.0 112.665 173.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -66.98 -40.89 87.53 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.115 0.966 . . . . 0.0 112.276 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.1 m -81.38 -31.56 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.548 0.739 . . . . 0.0 112.767 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 71.4 m -61.56 -41.79 97.91 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.261 0.937 . . . . 0.0 111.789 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.64 58.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.503 1.121 . . . . 0.0 113.548 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -83.41 -21.29 33.04 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.6 t -76.46 -43.46 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.915 1.234 . . . . 0.0 111.247 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.97 -47.85 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 122.58 0.352 . . . . 0.0 110.767 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.18 -28.33 67.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.297 -0.859 . . . . 0.0 113.02 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.333 1.424 . . . . 0.0 111.466 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.81 -43.04 76.43 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.758 0.823 . . . . 0.0 112.114 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 37.7 t80 -68.02 -40.83 82.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.233 0.613 . . . . 0.0 112.531 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.67 -45.8 90.95 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.371 1.068 . . . . 0.0 111.136 173.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -62.29 -41.48 98.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.081 0.952 . . . . 0.0 111.627 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.17 -46.77 89.15 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.528 -0.732 . . . . 0.0 112.207 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 83.3 mt -68.99 -34.82 75.91 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.196 -0.94 . . . . 0.0 112.893 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.724 0.81 . . . . 0.0 110.979 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -70.32 -13.8 62.31 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -86.92 -37.99 17.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.938 1.244 . . . . 0.0 111.953 164.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 70.6 m -81.86 -49.78 9.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -167.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 60.88 -64.27 0.06 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 129.318 3.047 . . . . 0.0 114.011 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.44 -46.99 87.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.478 1.911 . . . . 0.0 112.233 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -92.34 129.94 38.15 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.384 1.073 . . . . 0.0 109.51 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -166.54 177.33 6.72 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.082 1.353 . . . . 0.0 112.311 -166.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 78.6 p -135.59 159.91 40.15 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.902 1.681 . . . . 0.0 111.771 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -105.04 18.97 21.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.451 1.1 . . . . 0.0 113.834 -165.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.808 2.043 . . . . 0.0 113.776 -173.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.774 0.321 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -152.29 23.87 0.63 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.664 1.586 . . . . 0.0 113.02 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -147.17 155.84 42.47 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.555 1.542 . . . . 0.0 110.492 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.38 140.19 22.73 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.873 1.269 . . . . 0.0 112.852 173.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.1 p -111.02 160.21 17.05 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.7 -34.43 74.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.177 0.991 . . . . 0.0 112.714 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.25 -22.47 63.84 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.95 -44.92 14.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.141 0.977 . . . . 0.0 110.463 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.67 -32.6 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.417 1.487 . . . . 0.0 111.874 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -24.27 67.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.583 1.153 . . . . 0.0 113.444 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -88.95 -41.88 12.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.372 1.069 . . . . 0.0 111.443 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -65.96 -29.26 69.62 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.633 -0.667 . . . . 0.0 112.73 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.1 tppt? -51.91 -44.36 63.79 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 112.231 169.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -67.92 -36.13 79.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.915 0.886 . . . . 0.0 111.815 -174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.98 -42.06 40.44 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.25 0.477 . . . . 0.0 112.016 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.83 -43.45 98.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.238 1.015 . . . . 0.0 112.361 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -69.13 -15.12 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -26.86 59.78 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.896 1.226 . . . . 0.0 111.767 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -95.0 -2.83 49.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.011 1.724 . . . . 0.0 113.38 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -79.27 69.95 5.58 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.415 1.886 . . . . 0.0 110.448 173.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.16 -29.87 70.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.875 1.27 . . . . 0.0 113.382 -174.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.55 -19.44 38.56 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.946 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.03 3.31 90.61 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.007 1.289 . . . . 0.0 114.927 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -89.23 -9.61 50.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.363 1.465 . . . . 0.0 113.478 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.81 27.46 9.59 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.006 1.288 . . . . 0.0 113.555 -176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -130.73 137.44 49.5 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.278 1.431 . . . . 0.0 111.256 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -100.22 159.13 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.366 0.667 . . . . 0.0 110.289 172.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -75.15 150.4 38.75 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 p -60.06 -32.67 71.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.296 1.038 . . . . 0.0 112.371 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.57 -25.5 66.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.234 1.014 . . . . 0.0 113.385 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.87 -6.61 58.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.812 1.245 . . . . 0.0 113.433 176.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.03 -47.49 85.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.381 0.991 . . . . 0.0 110.816 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.98 -27.98 72.1 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.848 -0.532 . . . . 0.0 112.944 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -74.14 -49.9 21.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.184 0.994 . . . . 0.0 110.833 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.79 -32.82 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.295 0.952 . . . . 0.0 111.829 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -57.47 -51.86 67.73 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.094 0.861 . . . . 0.0 111.209 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -62.32 -40.22 95.62 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.086 0.954 . . . . 0.0 112.768 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -65.46 -26.33 67.9 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.956 -1.09 . . . . 0.0 113.442 175.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -92.7 12.66 22.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.609 1.564 . . . . 0.0 112.973 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.74 78.62 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.796 1.189 . . . . 0.0 115.0 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -81.65 146.31 30.12 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.608 1.204 . . . . 0.0 109.693 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -122.16 36.91 0.29 Allowed Pre-proline 0 CA--C 1.562 1.423 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -67.99 150.71 78.02 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.258 1.972 . . . . 0.0 110.997 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.2 p -73.62 167.95 20.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.754 1.222 . . . . 0.0 111.423 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.11 -38.36 68.05 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.763 0.825 . . . . 0.0 111.844 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.143 0.977 . . . . 0.0 112.389 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.3 -33.89 73.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.713 0.805 . . . . 0.0 111.736 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -50.9 68.33 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.809 0.844 . . . . 0.0 110.814 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -62.95 -37.42 86.98 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.391 0.542 . . . . 0.0 112.039 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.59 -31.5 68.1 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.889 1.276 . . . . 0.0 113.438 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -82.74 -43.54 16.67 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.621 0.768 . . . . 0.0 111.547 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.4 -50.86 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.178 0.991 . . . . 0.0 110.78 -175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -20.82 66.22 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -79.55 -48.29 14.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.417 1.087 . . . . 0.0 111.152 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.64 -30.86 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.346 0.976 . . . . 0.0 113.438 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.15 25.93 7.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.221 1.408 . . . . 0.0 112.835 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.53 -24.26 63.51 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.634 1.173 . . . . 0.0 114.008 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.6 -7.37 58.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.166 1.387 . . . . 0.0 113.976 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.95 28.7 44.8 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.787 1.184 . . . . 0.0 114.697 174.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.25 -36.71 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.604 1.161 . . . . 0.0 112.686 -176.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.99 5.56 89.63 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.484 1.516 . . . . 0.0 113.527 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -143.67 159.12 43.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.431 1.892 . . . . 0.0 112.208 -170.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mt -129.91 127.46 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.852 1.661 . . . . 0.0 109.371 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -84.65 153.76 22.94 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.656 1.583 . . . . 0.0 111.589 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 23.3 t80 -51.15 -53.02 53.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -171.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.49 -28.75 53.58 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.326 2.018 . . . . 0.0 113.216 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -73.14 -37.34 66.65 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.926 0.89 . . . . 0.0 111.838 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -61.76 -44.72 96.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.402 1.081 . . . . 0.0 111.264 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.2 -23.68 67.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -57.76 -38.02 74.67 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.343 0.974 . . . . 0.0 111.539 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.0 mtt -66.06 -31.9 73.05 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.795 -0.566 . . . . 0.0 112.348 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.6 mmm -81.94 -37.8 26.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.894 1.278 . . . . 0.0 112.199 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.27 -39.38 72.55 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.069 1.348 . . . . 0.0 111.948 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.84 -31.68 72.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.427 1.491 . . . . 0.0 113.434 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -76.11 -37.35 58.22 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.999 -1.063 . . . . 0.0 112.223 175.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.6 mmt -90.35 -0.8 57.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.959 1.304 . . . . 0.0 114.388 -172.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -56.55 134.75 54.5 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.675 1.19 . . . . 0.0 112.341 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.18 21.89 2.25 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.597 1.959 . . . . 0.0 113.78 -170.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -73.31 157.04 37.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.105 1.362 . . . . 0.0 112.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.89 162.72 18.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.7 2.0 . . . . 0.0 113.816 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 p -152.21 158.08 42.37 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -60.34 -22.12 62.86 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.988 1.715 . . . . 0.0 113.021 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.86 -33.56 14.89 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.56 1.544 . . . . 0.0 112.164 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -69.54 -41.73 75.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.689 0.795 . . . . 0.0 111.447 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.36 -26.84 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.495 0.718 . . . . 0.0 111.21 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -57.34 -37.99 73.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.785 1.234 . . . . 0.0 113.901 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.6 -35.7 78.6 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.845 0.858 . . . . 0.0 112.049 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.32 92.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.536 0.734 . . . . 0.0 111.839 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.16 -38.86 78.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.843 -0.535 . . . . 0.0 112.027 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -65.03 -32.46 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.88 -23.67 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.303 1.41 . . . . 0.0 113.363 172.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -89.54 -9.47 49.8 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.025 0.93 . . . . 0.0 112.991 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -78.94 130.48 35.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.7 1.6 . . . . 0.0 109.865 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.22 -13.24 60.43 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -145.4 -17.08 0.48 Allowed 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.7 41.69 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.735 1.16 . . . . 0.0 112.474 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.27 -18.51 61.21 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.748 1.619 . . . . 0.0 114.243 -175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.23 12.05 50.17 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 125.241 1.401 . . . . 0.0 113.578 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.02 149.52 46.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.039 1.336 . . . . 0.0 113.805 -174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.6 pt -138.52 158.91 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 126.803 2.041 . . . . 0.0 109.787 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 t -70.07 140.95 52.86 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.08 -1.012 . . . . 0.0 112.122 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.14 75.27 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.434 -0.791 . . . . 0.0 112.344 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.73 75.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.428 0.691 . . . . 0.0 111.177 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.45 -44.95 93.05 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.476 0.71 . . . . 0.0 110.722 173.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.04 -41.74 88.6 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.972 0.806 . . . . 0.0 111.483 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -64.36 -41.54 96.67 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.841 0.746 . . . . 0.0 112.056 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -72.98 -46.41 52.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.126 0.97 . . . . 0.0 113.007 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.27 -26.84 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.323 -1.486 . . . . 0.0 111.946 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.5 mmt -74.54 -16.65 60.82 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.4 p -109.2 -24.64 11.03 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.564 1.074 . . . . 0.0 112.649 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -91.21 -42.39 10.45 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -176.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.21 137.34 34.41 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.771 1.228 . . . . 0.0 110.872 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.24 -153.71 51.16 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.682 1.134 . . . . 0.0 113.403 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.36 163.02 19.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.474 0.71 . . . . 0.0 111.288 165.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.95 135.71 33.29 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.72 -1.238 . . . . 0.0 113.624 -172.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.4 tp -91.01 132.09 36.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 108.613 160.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -70.48 156.46 39.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.168 0.987 . . . . 0.0 110.42 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.36 -43.66 79.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.581 0.752 . . . . 0.0 111.703 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.25 -23.51 65.7 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.545 1.138 . . . . 0.0 113.354 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -83.72 -56.41 3.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.867 1.267 . . . . 0.0 109.907 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.02 -35.68 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.561 -0.712 . . . . 0.0 112.157 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -67.15 -30.68 70.73 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.418 1.008 . . . . 0.0 111.539 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.83 -36.11 42.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.206 1.002 . . . . 0.0 111.896 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttm -55.33 -44.62 76.04 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.737 0.815 . . . . 0.0 110.909 168.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.2 mm -70.3 -42.74 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.401 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -54.21 -41.74 68.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.44 1.018 . . . . 0.0 112.837 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -84.82 -5.46 59.33 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.34 -45.16 6.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 112.581 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.58 -27.25 68.82 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.861 1.664 . . . . 0.0 113.575 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.2 pt -70.56 -12.97 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 113.739 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -116.34 -43.64 2.93 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.358 1.463 . . . . 0.0 112.433 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -110.99 111.67 3.04 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.334 1.445 . . . . 0.0 111.714 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.34 107.8 11.22 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.337 1.055 . . . . 0.0 111.23 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.66 -48.2 2.57 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.614 1.578 . . . . 0.0 113.76 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -99.07 131.26 45.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.227 1.411 . . . . 0.0 110.186 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.8 124.47 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.292 1.837 . . . . 0.0 108.836 174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -78.63 92.71 4.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 163.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -68.38 -26.35 65.53 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.296 -0.878 . . . . 0.0 113.117 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.513 0.725 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.49 -35.21 18.33 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.54 0.736 . . . . 0.0 112.312 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.9 -43.32 98.69 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.284 -0.885 . . . . 0.0 112.516 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -34.08 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.134 0.574 . . . . 0.0 112.351 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.01 -36.38 79.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.597 0.759 . . . . 0.0 110.948 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.4 mtm -69.95 -47.09 63.74 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 174.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -79.7 -19.34 49.17 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.9 p -75.63 -19.96 58.84 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 119.807 1.185 . . . . 0.0 112.768 170.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.3 -171.27 2.9 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.79 1.636 . . . . 0.0 112.294 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.356 1.862 . . . . 0.0 110.627 178.019 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 CA-C-O 119.546 -0.586 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.74 163.66 37.81 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.018 3.146 . . . . 0.0 111.589 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -80.99 126.02 7.17 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.607 0.622 . . . . 0.0 111.598 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 38.8 m -67.55 -33.71 75.59 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.082 0.953 . . . . 0.0 111.51 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -54.22 -39.84 67.11 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.973 2.109 . . . . 0.0 112.278 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.5 -42.15 78.99 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.468 1.107 . . . . 0.0 111.276 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.3 m -81.72 -26.85 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.018 0.927 . . . . 0.0 112.543 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 41.7 m -64.64 -46.16 83.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.013 0.925 . . . . 0.0 112.537 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.98 -39.83 59.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.562 0.745 . . . . 0.0 112.349 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.1 mtm -66.71 -20.07 65.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.388 1.075 . . . . 0.0 113.861 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.0 t -73.24 -35.96 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.69 1.132 . . . . 0.0 111.121 176.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.64 -39.33 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.937 0.895 . . . . 0.0 110.058 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.92 -49.1 76.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.035 0.934 . . . . 0.0 112.006 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -64.25 -33.73 76.48 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.051 0.841 . . . . 0.0 112.942 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.82 70.48 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.866 0.866 . . . . 0.0 111.442 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.73 -38.95 93.03 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.626 0.771 . . . . 0.0 112.28 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.25 -38.25 81.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.626 0.771 . . . . 0.0 112.894 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -66.33 -36.88 84.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.871 0.869 . . . . 0.0 111.69 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.74 0.816 . . . . 0.0 111.51 170.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.24 -39.46 86.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.826 0.85 . . . . 0.0 113.27 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.24 -41.54 75.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -83.38 -28.69 28.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.74 0.816 . . . . 0.0 112.876 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.26 -37.99 25.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.112 1.365 . . . . 0.0 113.196 -176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 54.9 m -98.07 -15.36 20.03 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 69.43 -55.19 0.58 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 130.261 3.425 . . . . 0.0 112.175 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -75.38 145.51 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.448 1.099 . . . . 0.0 110.553 166.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -162.95 152.6 15.55 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.876 1.271 . . . . 0.0 111.284 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -61.19 140.87 57.83 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.742 0.817 . . . . 0.0 111.929 173.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 38.2 m 70.99 -22.98 0.18 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 127.487 2.315 . . . . 0.0 114.469 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 88.9 t80 -78.41 -43.01 28.51 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.407 1.483 . . . . 0.0 111.559 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.864 1.666 . . . . 0.0 110.57 174.482 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.531 0.205 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.9 1.86 3.06 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.546 1.538 . . . . 0.0 113.985 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -142.76 -179.26 6.22 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.842 1.657 . . . . 0.0 111.541 -172.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.96 141.16 50.5 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.508 1.923 . . . . 0.0 113.008 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -108.17 160.02 16.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.255 1.022 . . . . 0.0 112.55 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.97 -35.02 72.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.802 0.841 . . . . 0.0 112.931 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.08 -21.59 63.13 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -82.45 -45.64 14.5 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.347 -0.846 . . . . 0.0 110.448 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -55.84 -37.68 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.253 1.421 . . . . 0.0 111.636 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -25.35 68.34 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.037 . . . . 0.0 113.612 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.23 -43.29 10.5 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.284 1.034 . . . . 0.0 111.186 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.75 -26.97 68.89 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.16 -37.87 75.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.462 0.705 . . . . 0.0 112.422 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.46 -40.38 81.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.286 0.634 . . . . 0.0 111.448 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.17 74.89 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.982 0.513 . . . . 0.0 112.326 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.53 -39.03 88.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.85 0.86 . . . . 0.0 111.763 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.6 t -65.79 -26.65 67.79 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -23.03 61.44 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.866 -1.146 . . . . 0.0 112.421 178.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.4 m-85 -94.76 -6.5 42.89 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.415 1.886 . . . . 0.0 113.407 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.98 71.17 9.01 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.363 1.465 . . . . 0.0 109.96 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.21 -22.21 62.04 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.73 -21.61 37.83 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 9.39 86.82 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.802 1.191 . . . . 0.0 114.181 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.2 -10.34 50.12 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.721 1.608 . . . . 0.0 113.478 -174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.84 19.44 31.5 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.139 1.352 . . . . 0.0 113.92 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.7 p -131.92 158.65 40.84 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.798 1.639 . . . . 0.0 111.518 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 pt -120.98 161.82 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.639 1.176 . . . . 0.0 110.755 170.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 p -80.41 155.43 27.13 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.665 0.786 . . . . 0.0 111.29 168.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.5 p -61.4 -30.03 70.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 0.0 112.326 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.54 -34.02 77.28 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.35 1.06 . . . . 0.0 113.25 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -88.27 -9.95 51.23 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.342 1.057 . . . . 0.0 113.481 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.55 -48.01 72.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.765 0.826 . . . . 0.0 111.239 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -24.9 67.86 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.005 0.812 . . . . 0.0 113.444 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -76.03 -42.71 47.02 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.324 1.45 . . . . 0.0 110.959 174.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.5 t -63.29 -39.61 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.015 0.825 . . . . 0.0 111.055 172.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.1 mmt -58.28 -55.12 39.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.827 0.851 . . . . 0.0 111.725 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -67.08 -28.54 68.27 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.2 m -67.51 -25.84 66.05 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.22 7.28 46.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.714 2.005 . . . . 0.0 112.923 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.72 8.0 85.15 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.14 1.352 . . . . 0.0 115.319 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -92.49 123.48 35.83 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.018 1.409 . . . . 0.0 109.278 177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.48 81.94 18.57 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 123.971 0.908 . . . . 0.0 111.307 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.53 160.49 38.36 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.392 2.728 . . . . 0.0 111.496 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -73.3 169.13 17.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.786 0.834 . . . . 0.0 110.381 163.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.57 -36.73 72.08 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.695 -0.628 . . . . 0.0 111.91 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.06 -45.74 59.61 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.055 0.942 . . . . 0.0 112.249 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -31.13 69.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.871 0.868 . . . . 0.0 111.956 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.63 -49.14 67.23 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -61.73 -36.54 81.27 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.357 0.663 . . . . 0.0 112.059 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.63 -37.11 82.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.926 1.291 . . . . 0.0 113.315 174.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.8 mtm -72.58 -43.4 63.44 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.517 0.599 . . . . 0.0 111.29 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.72 -58.88 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.942 0.897 . . . . 0.0 111.181 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -64.84 -18.21 64.95 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.918 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.81 -28.57 62.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.63 1.172 . . . . 0.0 112.706 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 m -102.49 -30.45 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.44 1.018 . . . . 0.0 113.542 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -91.21 26.71 2.1 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.917 1.687 . . . . 0.0 112.191 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.28 -23.28 66.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.839 1.256 . . . . 0.0 113.746 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.54 -9.59 59.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.188 1.395 . . . . 0.0 113.676 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.2 16.85 70.78 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.843 1.211 . . . . 0.0 115.166 170.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -68.84 -27.22 65.64 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.844 1.322 . . . . 0.0 114.246 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.89 7.6 87.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.209 1.385 . . . . 0.0 113.461 -174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -140.17 154.9 47.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.585 1.954 . . . . 0.0 110.824 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.9 mt -121.94 130.24 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.802 1.641 . . . . 0.0 108.696 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -92.99 153.37 18.78 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.268 1.427 . . . . 0.0 110.631 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -51.72 -49.29 84.06 Favored Pre-proline 0 CA--C 1.548 0.886 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.93 -23.59 54.35 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.267 1.978 . . . . 0.0 113.863 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -75.99 -43.4 44.62 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.75 174.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -39.26 73.21 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.331 1.052 . . . . 0.0 111.685 168.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.62 -25.56 63.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.09 -1.006 . . . . 0.0 113.58 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.6 m -66.55 -44.34 82.61 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.63 1.105 . . . . 0.0 111.243 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -71.61 -13.1 61.66 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.3 mmm -82.67 -48.02 11.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.325 1.05 . . . . 0.0 110.476 169.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.65 80.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.439 1.496 . . . . 0.0 113.688 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -70.33 -19.1 63.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -74.81 -31.95 61.84 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 44.4 mtt -96.48 3.03 53.01 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -162.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -60.51 142.26 55.51 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.619 1.168 . . . . 0.0 114.067 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -97.45 -8.86 28.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.001 1.32 . . . . 0.0 113.56 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 t -83.1 -179.17 7.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.93 1.692 . . . . 0.0 113.001 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -150.3 158.1 43.78 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.941 2.496 . . . . 0.0 109.835 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.6 t -77.46 118.45 19.91 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.457 -0.777 . . . . 0.0 111.933 -170.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.98 -28.65 69.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.342 0.657 . . . . 0.0 112.037 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.24 -46.66 73.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.444 0.698 . . . . 0.0 110.635 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.28 -41.12 96.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.024 0.53 . . . . 0.0 111.1 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.41 -42.27 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.417 1.087 . . . . 0.0 111.353 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -74.79 -43.3 55.45 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.939 0.791 . . . . 0.0 112.335 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.99 -20.43 65.88 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.809 -1.182 . . . . 0.0 113.177 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.95 -19.67 65.3 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 171.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -85.13 -27.51 26.17 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.425 1.012 . . . . 0.0 113.3 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -69.31 -26.19 64.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.7 -14.52 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 169.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.03 7.89 30.05 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.814 1.646 . . . . 0.0 112.812 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -154.3 65.95 0.7 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.735 2.014 . . . . 0.0 109.886 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -69.15 -11.94 61.24 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -172.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -76.3 -17.63 59.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.272 1.429 . . . . 0.0 112.7 170.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 22.16 72.19 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.701 1.143 . . . . 0.0 114.421 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -67.46 -28.17 67.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.862 1.265 . . . . 0.0 114.063 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 4.91 61.32 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.42 1.486 . . . . 0.0 113.938 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -134.03 150.59 51.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.049 1.339 . . . . 0.0 113.288 -176.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 pt -140.92 156.06 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.469 1.908 . . . . 0.0 110.356 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.1 m -74.21 143.61 45.08 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.477 -0.764 . . . . 0.0 112.005 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.12 79.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.622 -0.673 . . . . 0.0 112.35 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -33.81 76.78 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.392 1.077 . . . . 0.0 113.009 173.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.4 -48.1 57.72 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.551 0.74 . . . . 0.0 110.725 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 tp -58.59 -47.49 84.11 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.718 -0.614 . . . . 0.0 110.882 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.7 ttp-105 -56.58 -39.51 73.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.242 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -65.54 -45.24 84.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.421 -0.8 . . . . 0.0 112.73 173.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -54.91 -51.0 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.365 1.438 . . . . 0.0 110.13 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -20.37 65.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.0 p -114.39 -14.39 12.2 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -107.09 -51.68 2.88 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.573 1.079 . . . . 0.0 112.955 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -88.0 143.81 26.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.687 1.195 . . . . 0.0 112.293 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.06 -157.14 46.83 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.321 1.439 . . . . 0.0 113.511 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.52 146.38 50.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.178 0.591 . . . . 0.0 109.952 162.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -91.29 148.34 22.41 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.3 tp -88.24 140.33 29.59 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.92 1.288 . . . . 0.0 109.275 166.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 m -70.45 155.89 40.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.247 1.019 . . . . 0.0 110.792 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.55 -40.44 68.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.746 1.218 . . . . 0.0 113.074 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.21 -39.45 68.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.752 0.821 . . . . 0.0 112.075 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -66.85 -46.47 74.96 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.063 1.345 . . . . 0.0 110.917 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.16 -32.79 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.371 0.987 . . . . 0.0 112.086 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.28 -43.85 89.85 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.324 -0.86 . . . . 0.0 111.667 171.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -63.85 -38.79 92.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.914 0.886 . . . . 0.0 111.662 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttm -58.68 -52.52 65.33 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.641 0.776 . . . . 0.0 111.081 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 37.0 mm -65.42 -40.09 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -54.48 -44.09 72.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.141 0.976 . . . . 0.0 112.057 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -79.84 -24.12 41.52 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.44 -43.15 9.35 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -175.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.35 -26.28 63.67 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.791 1.236 . . . . 0.0 113.655 -172.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.6 pt -66.82 -10.57 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.91 -19.5 60.11 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.207 1.003 . . . . 0.0 113.008 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -149.24 -132.03 2.04 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.533 1.54 . . . . 0.0 112.384 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -153.94 105.28 2.73 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.15 1.38 . . . . 0.0 110.312 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.95 -8.84 34.78 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.775 1.655 . . . . 0.0 114.661 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -122.33 143.66 49.49 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.991 1.716 . . . . 0.0 111.1 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.37 126.68 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.52 1.928 . . . . 0.0 108.489 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.02 100.72 9.89 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 160.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -71.53 -26.27 62.58 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.08 -54.9 41.82 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 111.619 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -73.65 -23.38 59.85 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.763 -0.586 . . . . 0.0 112.347 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -63.17 -38.43 91.16 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.148 -0.97 . . . . 0.0 111.838 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.87 -40.84 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.906 0.775 . . . . 0.0 111.723 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.9 -32.46 73.98 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.617 0.644 . . . . 0.0 111.701 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.4 mtm -70.71 -39.66 73.31 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.352 -0.843 . . . . 0.0 112.35 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.34 -35.44 79.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.7 p -74.37 -23.02 58.93 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.012 0.824 . . . . 0.0 112.341 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.29 -178.25 5.58 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.636 1.574 . . . . 0.0 112.879 170.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.336 1.854 . . . . 0.0 109.92 171.065 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.495 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.36 159.88 45.89 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.526 3.484 . . . . 0.0 111.986 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -124.76 151.6 17.35 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.542 1.544 . . . . 0.0 113.109 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 51.0 m -68.52 -33.99 75.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 111.142 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -54.02 -43.55 70.21 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.217 2.207 . . . . 0.0 111.626 173.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.808 0.843 . . . . 0.0 112.446 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.4 m -86.61 -32.49 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 59.9 m -62.82 -38.81 92.22 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.387 -0.821 . . . . 0.0 112.181 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.33 14.24 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.439 1.495 . . . . 0.0 114.093 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.6 mtm -85.67 -24.53 27.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.771 1.228 . . . . 0.0 113.525 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 40.3 t -76.0 -30.88 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.106 0.866 . . . . 0.0 111.295 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.84 -42.05 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.883 0.873 . . . . 0.0 110.372 170.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -70.16 -34.24 72.78 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.069 0.948 . . . . 0.0 111.592 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -61.17 -20.98 63.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.689 1.596 . . . . 0.0 113.421 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -93.62 -44.39 8.21 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.668 1.587 . . . . 0.0 112.468 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 69.9 t80 -65.59 -45.24 83.97 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -65.32 -34.87 79.35 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.998 -0.438 . . . . 0.0 111.755 175.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -67.59 -40.71 84.77 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.633 1.573 . . . . 0.0 112.104 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.03 -48.77 80.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.038 1.335 . . . . 0.0 112.298 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 91.2 mt -58.44 -37.36 75.25 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.538 0.735 . . . . 0.0 112.04 176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.42 -32.17 73.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.928 0.891 . . . . 0.0 112.76 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -69.0 -40.24 78.84 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.392 0.996 . . . . 0.0 110.685 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -76.55 -35.32 58.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.869 1.267 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 40.2 m -86.16 -22.87 26.8 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 66.2 -53.21 0.41 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 130.565 3.546 . . . . 0.0 111.929 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.11 143.27 39.31 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.442 1.497 . . . . 0.0 111.808 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -77.49 -28.0 52.09 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -164.7 174.96 10.16 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.903 2.081 . . . . 0.0 111.058 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 35.2 m -64.19 143.49 57.84 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.831 0.852 . . . . 0.0 112.646 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 85.3 t80 -73.32 -32.36 64.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.952 0.901 . . . . 0.0 112.866 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.4 tp . . . . . 0 C--O 1.251 1.135 0 C-N-CA 126.573 1.949 . . . . 0.0 111.241 -175.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.747 0.308 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -134.35 -1.99 2.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.327 1.451 . . . . 0.0 113.754 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -160.27 124.75 3.75 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.935 1.294 . . . . 0.0 110.501 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.61 155.61 25.63 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.717 1.207 . . . . 0.0 113.068 168.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -89.7 156.91 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.3 1.04 . . . . 0.0 111.793 171.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -57.75 -36.88 72.7 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.001 0.921 . . . . 0.0 112.384 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.7 -21.86 62.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.065 0.946 . . . . 0.0 113.449 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -82.28 -44.77 15.85 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.963 0.802 . . . . 0.0 110.328 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.25 -38.2 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.32 1.048 . . . . 0.0 111.775 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.78 67.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.201 1.0 . . . . 0.0 113.196 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.19 -44.69 11.99 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.805 0.842 . . . . 0.0 111.39 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -66.97 -27.17 67.24 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.629 -0.67 . . . . 0.0 112.523 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.87 -41.13 86.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.127 0.971 . . . . 0.0 112.815 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.64 -40.87 84.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.594 0.758 . . . . 0.0 111.704 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.78 82.28 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.767 -0.583 . . . . 0.0 112.557 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.01 -36.32 82.96 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.781 0.832 . . . . 0.0 111.799 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.2 t -61.23 -32.25 72.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -19.45 60.5 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.022 -1.049 . . . . 0.0 113.387 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.54 -13.57 21.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.455 1.502 . . . . 0.0 112.993 173.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.96 62.19 1.59 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.172 1.789 . . . . 0.0 110.435 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.59 -16.3 61.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.458 1.503 . . . . 0.0 113.28 -171.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.67 -20.92 35.26 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.644 1.578 . . . . 0.0 113.311 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.12 8.72 86.97 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.658 1.599 . . . . 0.0 114.463 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.04 -11.28 39.26 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.474 1.509 . . . . 0.0 113.67 -172.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 23.44 16.54 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.17 1.366 . . . . 0.0 113.877 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -135.07 144.16 47.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.909 1.684 . . . . 0.0 111.706 -176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -105.84 160.99 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.34 1.056 . . . . 0.0 109.724 165.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p -78.02 154.43 31.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.158 0.435 . . . . 0.0 110.398 163.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -58.09 -30.63 66.39 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.367 1.067 . . . . 0.0 112.488 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.68 -32.5 74.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.813 1.245 . . . . 0.0 113.199 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -85.43 -8.9 58.15 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.826 0.85 . . . . 0.0 112.76 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -61.7 -48.35 81.17 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.52 -1.362 . . . . 0.0 112.022 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.21 63.3 Favored Glycine 0 CA--C 1.527 0.844 0 CA-C-O 118.941 -0.922 . . . . 0.0 112.691 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -81.55 -43.28 18.95 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.969 1.708 . . . . 0.0 111.481 174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.54 -33.54 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 120.385 1.448 . . . . 0.0 111.876 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.2 mtp -68.83 -31.43 70.4 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.68 -0.637 . . . . 0.0 112.406 173.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -74.22 -34.76 63.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.247 -0.908 . . . . 0.0 112.501 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -66.06 -28.75 69.08 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.352 -0.842 . . . . 0.0 112.724 172.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.5 mt -86.78 0.41 54.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.611 1.564 . . . . 0.0 112.995 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.34 12.09 82.54 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.392 1.472 . . . . 0.0 115.51 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.31 -37.88 31.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.799 1.299 . . . . 0.0 111.85 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 55.67 56.49 10.19 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 126.273 1.829 . . . . 0.0 112.614 175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.34 141.12 46.02 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.8 2.333 . . . . 0.0 111.309 -169.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -63.55 146.6 53.37 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.547 1.139 . . . . 0.0 109.947 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.74 -41.12 90.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.715 0.806 . . . . 0.0 112.8 -170.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.94 84.76 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -69.25 -44.96 70.88 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.191 0.997 . . . . 0.0 110.753 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.04 -51.79 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.333 1.453 . . . . 0.0 111.367 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.19 -37.42 87.42 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.005 0.366 . . . . 0.0 111.974 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.51 -31.35 72.02 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.931 -1.106 . . . . 0.0 112.984 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.9 mtm -71.63 -37.9 70.82 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.335 0.654 . . . . 0.0 111.133 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.61 -45.96 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.639 -0.663 . . . . 0.0 109.809 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.48 -29.32 64.16 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.28 -51.43 37.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.709 0.804 . . . . 0.0 111.054 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.7 -24.09 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -103.02 23.36 12.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.859 1.664 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.0 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -89.31 -4.92 57.93 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.636 1.575 . . . . 0.0 113.875 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.97 25.71 59.49 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.595 1.093 . . . . 0.0 114.496 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -62.2 -34.7 76.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.616 1.166 . . . . 0.0 113.838 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.83 89.32 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 126.149 1.833 . . . . 0.0 113.659 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.0 p -138.25 159.5 41.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.919 1.688 . . . . 0.0 112.48 -170.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.68 127.75 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.505 1.922 . . . . 0.0 107.587 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.02 163.02 17.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.032 0.933 . . . . 0.0 112.428 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -57.21 -51.63 80.2 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-O 116.673 -1.632 . . . . 0.0 114.547 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 -30.72 46.82 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 122.135 1.798 . . . . 0.0 113.486 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.47 -40.44 85.3 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.484 1.493 . . . . 0.0 112.087 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -60.1 -45.69 92.12 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.5 0.72 . . . . 0.0 111.754 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.2 -31.67 72.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.646 0.778 . . . . 0.0 112.86 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -70.91 -31.16 67.7 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.0 mtm -67.52 -49.23 64.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.267 0.939 . . . . 0.0 111.125 166.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 92.3 mmm -59.67 -40.91 89.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.499 1.12 . . . . 0.0 113.186 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.95 65.04 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.652 1.581 . . . . 0.0 113.714 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -80.15 -21.16 43.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.316 . . . . 0.0 113.437 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -83.51 -36.39 24.12 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.199 -0.938 . . . . 0.0 113.017 172.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.4 mmt -77.26 167.06 22.37 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.058 1.343 . . . . 0.0 112.382 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -102.35 147.5 26.63 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.871 1.269 . . . . 0.0 111.976 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -96.44 -16.79 21.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.524 1.13 . . . . 0.0 113.773 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -61.87 145.63 52.18 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.087 1.355 . . . . 0.0 112.104 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.68 145.11 55.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.669 1.588 . . . . 0.0 112.422 -175.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.8 m -72.6 125.39 27.35 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -164.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.73 -40.34 79.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.049 1.339 . . . . 0.0 112.76 -170.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.28 -33.26 69.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.458 0.703 . . . . 0.0 112.711 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -71.15 -38.93 72.2 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.598 -0.689 . . . . 0.0 110.532 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.98 -45.07 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.98 172.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -61.91 -43.94 97.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.616 . . . . 0.0 112.593 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.48 -32.59 74.29 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.26 0.624 . . . . 0.0 112.529 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.51 87.57 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.12 -0.987 . . . . 0.0 111.979 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -69.19 -35.92 76.76 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -69.8 -32.76 71.4 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.394 0.677 . . . . 0.0 112.738 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.91 -31.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.072 -1.018 . . . . 0.0 111.283 168.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -92.12 9.93 31.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.832 1.253 . . . . 0.0 114.094 174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -143.32 66.87 1.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.07 1.748 . . . . 0.0 110.403 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -63.98 -14.09 51.3 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.66 -17.16 52.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.34 1.456 . . . . 0.0 113.162 173.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.32 23.19 76.32 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.423 1.011 . . . . 0.0 113.858 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -68.46 -26.22 65.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.735 1.214 . . . . 0.0 114.128 -175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.18 69.83 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.48 1.514 . . . . 0.0 113.797 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.29 151.61 45.23 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.78 1.632 . . . . 0.0 112.036 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.64 160.58 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.407 1.883 . . . . 0.0 109.601 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -74.01 146.46 43.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.594 -1.316 . . . . 0.0 111.695 173.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.17 84.34 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.978 -1.076 . . . . 0.0 112.238 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.16 73.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.6 0.76 . . . . 0.0 111.619 173.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.51 -46.97 85.99 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.611 1.164 . . . . 0.0 111.154 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.09 -44.78 96.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.953 0.901 . . . . 0.0 111.03 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -59.15 -42.68 91.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.328 0.513 . . . . 0.0 111.679 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -69.93 -46.34 65.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.956 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -22.34 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.849 -1.157 . . . . 0.0 112.116 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.77 -18.45 54.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.908 2.083 . . . . 0.0 114.559 170.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.5 p -116.74 13.95 15.22 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.961 1.304 . . . . 0.0 114.232 -172.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -4.12 0.76 Allowed 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.01 145.12 51.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.395 1.478 . . . . 0.0 111.144 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.38 -79.99 1.03 Allowed Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.5 1.048 . . . . 0.0 111.542 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.59 149.38 27.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.922 2.089 . . . . 0.0 108.257 164.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -74.47 116.13 14.8 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.34 -0.85 . . . . 0.0 111.223 -174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.81 139.51 56.59 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.803 1.241 . . . . 0.0 110.313 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.5 150.66 48.56 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.479 1.112 . . . . 0.0 110.734 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.59 -39.18 90.28 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.14 -28.77 67.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.904 0.882 . . . . 0.0 112.831 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.81 -53.34 8.04 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.817 0.847 . . . . 0.0 109.631 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.61 -32.83 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.617 -0.677 . . . . 0.0 112.243 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.86 -36.92 85.52 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.06 -1.025 . . . . 0.0 111.728 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.34 -35.44 63.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.754 0.422 . . . . 0.0 111.638 174.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.5 ttm -57.52 -39.61 76.94 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.153 0.888 . . . . 0.0 111.688 171.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.1 mm -71.37 -44.65 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.186 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -57.05 -42.79 81.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.884 1.22 . . . . 0.0 111.908 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -74.98 -8.77 57.45 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.17 -43.3 7.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 112.186 171.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.95 -8.39 36.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.699 2.0 . . . . 0.0 114.21 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 pt -66.63 -18.65 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.03 -1.044 . . . . 0.0 113.684 163.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -122.32 -32.79 3.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.536 1.534 . . . . 0.0 112.77 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.09 179.11 51.92 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.034 1.302 . . . . 0.0 114.267 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -163.23 75.14 0.38 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.629 1.571 . . . . 0.0 110.008 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.55 -45.63 2.68 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 125.256 1.408 . . . . 0.0 112.102 -172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -88.43 133.57 34.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.943 1.297 . . . . 0.0 109.146 160.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.6 t -92.61 125.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 127.266 2.226 . . . . 0.0 108.721 175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -77.97 87.91 4.14 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -67.57 -27.28 66.8 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.252 -0.905 . . . . 0.0 113.104 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.59 -44.75 95.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.303 0.641 . . . . 0.0 111.277 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -69.77 -38.52 76.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.395 0.678 . . . . 0.0 111.565 171.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -62.04 -34.75 76.81 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.41 -50.06 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.11 0.868 . . . . 0.0 110.742 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -72.67 -26.95 61.81 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.608 0.763 . . . . 0.0 112.517 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.9 mtm -75.63 -35.23 60.53 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.668 0.667 . . . . 0.0 112.421 171.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.0 ttp -78.33 -31.92 48.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.591 1.156 . . . . 0.0 113.482 -177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.1 p -76.0 -8.88 57.99 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -76.88 -176.19 3.81 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.556 1.542 . . . . 0.0 112.646 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? . . . . . 0 C--O 1.254 1.314 0 C-N-CA 126.436 1.894 . . . . 0.0 112.169 178.864 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 CA-C-O 119.075 -0.847 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -56.34 161.19 9.66 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 125.223 3.949 . . . . 0.0 114.318 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -70.37 145.24 40.45 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 123.576 0.608 . . . . 0.0 113.25 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -66.77 -42.63 85.78 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.017 -0.696 . . . . 0.0 110.854 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.1 -40.0 92.07 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.66 1.584 . . . . 0.0 112.055 171.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.43 -45.59 75.63 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.569 0.748 . . . . 0.0 111.533 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.9 m -72.19 -30.95 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.907 0.776 . . . . 0.0 112.258 175.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 72.6 m -63.2 -44.14 96.17 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.146 -0.971 . . . . 0.0 111.804 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -62.01 -30.22 70.81 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.5 mtm -75.86 -47.09 26.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.683 0.793 . . . . 0.0 112.352 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.2 t -62.6 -37.83 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.253 1.021 . . . . 0.0 111.887 -175.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.53 -49.79 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.611 0.641 . . . . 0.0 111.638 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -75.7 -25.81 56.99 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -56.83 -49.75 74.48 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.136 0.975 . . . . 0.0 110.727 169.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.45 94.64 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.799 0.84 . . . . 0.0 112.249 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.36 -41.22 94.05 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.775 0.43 . . . . 0.0 112.026 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.95 -34.25 73.18 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.409 -0.807 . . . . 0.0 112.639 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -60.56 -47.27 86.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.615 1.166 . . . . 0.0 110.616 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.4 -47.96 83.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.407 1.083 . . . . 0.0 112.73 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.63 -46.11 87.81 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.045 0.938 . . . . 0.0 112.497 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.69 -48.0 82.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.62 1.168 . . . . 0.0 112.025 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -72.87 -22.54 60.76 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -75.95 -41.83 50.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.954 0.902 . . . . 0.0 112.004 170.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 33.8 m -92.28 -26.46 18.13 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 58.84 18.56 6.2 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.102 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.75 -9.83 40.88 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -167.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -74.66 -24.92 58.88 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.08 0.952 . . . . 0.0 113.219 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -79.48 151.72 30.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.09 0.956 . . . . 0.0 112.266 174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 41.4 m -78.64 129.09 34.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.811 0.844 . . . . 0.0 111.901 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -96.86 -8.05 31.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.182 0.993 . . . . 0.0 113.265 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.255 1.346 0 C-N-CA 126.083 1.753 . . . . 0.0 112.745 179.305 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -103.55 -9.35 19.33 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.405 1.482 . . . . 0.0 112.787 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -155.03 -171.46 3.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.815 2.446 . . . . 0.0 109.221 -164.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.2 134.88 38.92 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 112.333 175.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -91.62 162.63 14.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.27 -36.52 82.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.53 0.732 . . . . 0.0 112.35 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -73.89 -26.61 60.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.49 -48.83 53.84 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 118.591 0.632 . . . . 0.0 110.591 167.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.13 -41.8 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.276 1.03 . . . . 0.0 111.284 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -26.99 68.66 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.48 -45.52 14.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.799 1.24 . . . . 0.0 110.575 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -65.96 -28.07 68.63 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.523 0.729 . . . . 0.0 112.344 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -54.29 -38.61 66.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 112.504 170.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.67 -27.15 37.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.537 1.135 . . . . 0.0 112.263 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.07 -35.4 59.42 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.408 -0.807 . . . . 0.0 111.923 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -71.89 -38.02 70.05 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.486 1.114 . . . . 0.0 112.675 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -67.76 -26.34 66.07 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.35 -22.13 61.94 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.404 -0.81 . . . . 0.0 113.103 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -96.81 -12.57 23.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.614 1.565 . . . . 0.0 113.109 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.07 58.55 2.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.783 1.633 . . . . 0.0 110.424 168.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -71.9 -21.51 61.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.666 1.186 . . . . 0.0 113.032 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.33 -19.29 39.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.063 1.345 . . . . 0.0 113.102 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.68 7.3 87.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.852 1.215 . . . . 0.0 115.186 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.91 -13.2 56.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.134 1.374 . . . . 0.0 113.967 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 18.54 32.06 Favored Glycine 0 N--CA 1.473 1.123 0 C-N-CA 125.063 1.316 . . . . 0.0 113.856 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 p -127.66 155.73 43.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.465 1.906 . . . . 0.0 111.458 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 pt -113.55 160.81 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.038 0.935 . . . . 0.0 109.675 162.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -78.46 159.6 28.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.303 0.573 . . . . 0.0 111.481 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 p -61.66 -29.92 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.071 0.949 . . . . 0.0 112.474 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -73.15 -32.95 65.21 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.21 -13.72 59.52 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.0 0.92 . . . . 0.0 113.433 175.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.3 -48.37 74.2 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.243 0.929 . . . . 0.0 110.679 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.7 -25.27 71.62 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 121.588 -0.695 . . . . 0.0 113.31 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -79.02 -43.05 25.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.79 1.236 . . . . 0.0 111.437 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.05 -30.94 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.316 0.962 . . . . 0.0 112.111 173.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.1 mmt -60.92 -49.35 77.8 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.361 0.982 . . . . 0.0 111.52 169.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.59 -35.06 79.25 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.981 0.913 . . . . 0.0 112.69 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.3 m -68.37 -27.54 66.33 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.07 -1.019 . . . . 0.0 113.467 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.6 4.8 48.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.419 1.488 . . . . 0.0 112.881 170.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.4 8.63 80.71 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.489 1.518 . . . . 0.0 115.243 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -92.51 141.46 28.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.113 1.457 . . . . 0.0 111.346 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -133.54 64.56 68.89 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.207 1.403 . . . . 0.0 113.107 -172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -67.05 161.63 41.8 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.512 2.808 . . . . 0.0 111.3 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.7 p -69.21 165.78 19.74 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.776 0.431 . . . . 0.0 110.892 168.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.33 -36.8 73.94 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.86 -44.83 69.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.008 0.923 . . . . 0.0 112.452 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -65.45 -40.02 92.72 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.69 0.677 . . . . 0.0 111.49 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.03 -49.54 74.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.161 0.984 . . . . 0.0 110.907 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -42.31 91.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.926 0.891 . . . . 0.0 111.59 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.96 -35.51 80.14 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.293 -0.88 . . . . 0.0 113.226 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.04 -36.63 83.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.301 0.955 . . . . 0.0 111.379 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.3 mt -64.56 -49.6 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.796 0.839 . . . . 0.0 109.893 173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -57.23 -29.93 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -75.28 -12.14 60.21 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.02 -24.65 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -126.81 54.71 1.59 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.684 1.594 . . . . 0.0 110.222 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.92 68.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.213 1.405 . . . . 0.0 113.603 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -83.46 -10.6 58.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.478 1.511 . . . . 0.0 113.675 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.55 40.79 26.5 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.586 1.088 . . . . 0.0 114.321 171.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -68.41 -25.33 64.98 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.293 1.047 . . . . 0.0 113.262 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.67 5.2 75.01 Favored Glycine 0 N--CA 1.476 1.307 0 C-N-CA 125.385 1.469 . . . . 0.0 114.19 -177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.0 p -141.24 151.54 43.81 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.074 1.75 . . . . 0.0 111.859 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.53 128.65 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.443 1.897 . . . . 0.0 108.462 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.87 158.67 18.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.795 1.238 . . . . 0.0 110.531 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.91 -47.46 86.5 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -172.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.46 -26.8 23.91 Favored 'Trans proline' 0 C--N 1.353 0.774 0 CA-C-N 122.828 2.046 . . . . 0.0 113.12 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.78 -43.69 71.63 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.676 1.125 . . . . 0.0 111.028 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -59.21 -38.17 79.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.972 0.909 . . . . 0.0 111.874 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.59 -26.24 61.62 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.064 -1.022 . . . . 0.0 113.473 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -64.21 -48.72 74.77 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.545 1.066 . . . . 0.0 110.608 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -65.88 -19.59 65.93 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.63 -41.31 21.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.327 1.051 . . . . 0.0 112.407 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.71 99.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.192 0.997 . . . . 0.0 112.344 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -53.1 -32.29 46.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.754 1.622 . . . . 0.0 113.706 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -72.09 -19.25 61.84 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.543 1.137 . . . . 0.0 113.48 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.4 mtt -116.07 -10.04 11.61 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -170.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.52 123.15 24.24 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.79 0.836 . . . . 0.0 112.258 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -158.85 26.42 0.22 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 112.973 -173.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 t -76.14 179.04 5.93 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.785 1.234 . . . . 0.0 113.853 -169.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -170.23 168.3 8.25 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.626 2.77 . . . . 0.0 110.714 -172.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.4 t -156.42 139.75 15.7 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.324 1.05 . . . . 0.0 112.018 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -65.71 -35.45 80.79 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.711 -0.618 . . . . 0.0 112.092 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.46 -27.68 68.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 112.239 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -68.97 -39.04 79.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.321 1.049 . . . . 0.0 111.377 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.8 mt -77.62 -37.73 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.79 1.236 . . . . 0.0 110.367 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -61.75 -39.7 92.54 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -63.86 -34.36 77.76 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.005 0.821 . . . . 0.0 111.999 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.0 92.93 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.521 -0.737 . . . . 0.0 112.176 177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -69.68 -36.4 75.97 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.546 -0.721 . . . . 0.0 112.709 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -63.14 -35.07 79.06 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.003 0.921 . . . . 0.0 111.889 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.7 -39.0 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.0 1.32 . . . . 0.0 111.797 169.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -80.91 -21.55 40.46 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -71.99 113.37 8.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.189 0.904 . . . . 0.0 110.13 168.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -83.68 -9.12 59.08 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -120.19 -25.05 5.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.765 1.226 . . . . 0.0 113.407 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.97 19.47 57.56 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.141 1.353 . . . . 0.0 113.221 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.15 -18.91 61.85 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.209 1.404 . . . . 0.0 113.811 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.06 13.91 56.96 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 125.658 1.599 . . . . 0.0 113.413 -174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -140.68 152.8 45.64 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.594 1.558 . . . . 0.0 112.613 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -124.18 164.82 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.748 1.619 . . . . 0.0 109.211 164.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -85.03 153.63 22.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.352 -1.467 . . . . 0.0 111.48 169.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.42 70.55 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.014 -1.054 . . . . 0.0 112.148 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.85 77.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.194 0.998 . . . . 0.0 112.398 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.73 -50.31 74.35 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.604 0.762 . . . . 0.0 110.183 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 tp -57.35 -43.54 83.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.105 0.962 . . . . 0.0 111.85 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -29.1 69.78 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.581 1.153 . . . . 0.0 113.232 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -88.32 -51.96 5.46 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.112 -0.993 . . . . 0.0 112.771 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.68 -21.01 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.077 1.351 . . . . 0.0 113.572 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.5 mmt -90.3 -18.54 25.41 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.7 p -106.77 -20.6 13.29 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.592 1.087 . . . . 0.0 113.739 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.87 -9.53 24.12 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 mt -124.87 159.7 30.49 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.106 1.763 . . . . 0.0 112.307 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.51 -139.44 31.92 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.847 1.213 . . . . 0.0 113.741 167.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -89.68 71.39 7.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.296 1.438 . . . . 0.0 107.772 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -35.27 125.2 0.61 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.821 2.449 . . . . 0.0 114.862 -162.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.71 133.46 48.44 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.154 1.382 . . . . 0.0 110.673 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -76.14 157.97 32.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.982 1.313 . . . . 0.0 110.701 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -51.76 -44.63 63.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.87 1.268 . . . . 0.0 113.13 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.06 -27.01 63.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.064 0.946 . . . . 0.0 112.94 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -80.62 -46.96 14.81 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.342 1.057 . . . . 0.0 110.714 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.83 -33.84 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 119.443 1.02 . . . . 0.0 112.082 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.97 -41.69 97.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.237 0.615 . . . . 0.0 111.748 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -73.84 -40.16 63.5 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.344 0.658 . . . . 0.0 111.671 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.7 ttm -52.63 -47.32 67.13 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.074 0.95 . . . . 0.0 111.499 173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.6 mt -80.01 -34.29 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.776 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -56.18 -37.46 69.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.923 1.238 . . . . 0.0 111.188 170.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -81.64 -8.42 59.71 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.16 -46.61 4.79 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.107 1.321 . . . . 0.0 113.11 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.56 -10.01 59.27 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.525 1.53 . . . . 0.0 114.031 -172.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.2 pt -68.5 -17.94 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.089 1.356 . . . . 0.0 113.544 168.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.29 -26.72 5.8 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.07 1.348 . . . . 0.0 113.2 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -77.0 -173.53 38.63 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.032 0.825 . . . . 0.0 113.113 170.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -160.0 62.86 0.35 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.945 1.298 . . . . 0.0 110.276 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.12 -41.69 2.26 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.19 1.376 . . . . 0.0 112.282 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -86.44 140.4 30.01 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.356 1.062 . . . . 0.0 109.029 160.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.32 121.03 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.178 1.791 . . . . 0.0 108.866 -176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -81.26 77.39 8.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.887 1.275 . . . . 0.0 110.446 167.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -53.5 -26.46 20.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.077 1.351 . . . . 0.0 114.603 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.54 -40.52 79.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.966 0.906 . . . . 0.0 112.045 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -73.55 -36.7 65.67 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.989 0.915 . . . . 0.0 111.189 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.21 -39.54 94.91 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.498 -0.751 . . . . 0.0 112.433 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.23 -40.2 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 118.531 0.605 . . . . 0.0 111.546 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -63.66 -46.16 86.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.509 0.595 . . . . 0.0 110.548 175.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -64.84 -24.7 67.62 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mtm -72.92 -36.63 67.29 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.316 0.962 . . . . 0.0 113.26 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 t -106.98 -33.1 7.6 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -166.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.74 40.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.156 0.983 . . . . 0.0 111.899 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 56.3 mttp . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.603 1.561 . . . . 0.0 111.962 -171.604 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.05 159.89 43.75 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.883 3.055 . . . . 0.0 112.211 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -82.1 163.41 43.34 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.691 1.139 . . . . 0.0 113.701 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 5.1 p -59.34 -53.75 54.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.159 1.384 . . . . 0.0 111.56 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.66 -32.4 71.59 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.024 1.73 . . . . 0.0 112.502 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.38 -44.58 58.28 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.158 -0.964 . . . . 0.0 111.953 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.6 m -68.83 -32.14 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.144 0.884 . . . . 0.0 111.193 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 73.3 m -61.31 -44.1 97.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.949 0.795 . . . . 0.0 111.749 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.85 84.12 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.559 -0.713 . . . . 0.0 111.011 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 79.2 mtm -60.81 -38.65 86.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 31.4 t -61.68 -46.82 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.273 0.942 . . . . 0.0 110.857 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.32 -38.48 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.636 0.653 . . . . 0.0 111.618 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -59.21 -48.1 82.89 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.065 0.946 . . . . 0.0 110.96 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.82 -37.69 82.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.234 0.614 . . . . 0.0 112.565 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.06 84.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.857 0.863 . . . . 0.0 111.616 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.03 -40.59 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.469 0.708 . . . . 0.0 111.899 175.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -66.77 -38.16 86.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.986 -1.071 . . . . 0.0 112.817 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -63.78 -36.37 83.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.346 0.976 . . . . 0.0 112.203 170.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 66.7 t60 -65.3 -44.37 88.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.663 0.785 . . . . 0.0 112.755 171.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 52.3 mt -58.79 -35.65 73.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.122 -0.986 . . . . 0.0 112.905 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.11 -24.65 63.15 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -82.56 -22.33 34.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.727 0.811 . . . . 0.0 112.542 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -96.37 -24.87 15.95 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.36 1.064 . . . . 0.0 113.655 172.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 96.2 p -89.04 -29.57 19.35 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.0 mm? 55.82 34.05 22.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -53.71 135.67 40.78 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.958 1.303 . . . . 0.0 112.837 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -59.63 -26.09 65.2 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -174.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -60.75 -17.95 51.8 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.914 1.286 . . . . 0.0 113.743 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 56.4 m -79.01 -11.49 60.01 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -128.4 -27.88 2.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.285 1.434 . . . . 0.0 113.643 -170.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.107 1.763 . . . . 0.0 113.084 178.471 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.761 0.315 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.49 -58.64 0.06 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.818 2.047 . . . . 0.0 108.862 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 75.85 166.55 0.27 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.944 2.498 . . . . 0.0 114.459 158.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.7 mt -74.16 156.0 37.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.265 -0.897 . . . . 0.0 113.099 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 p -103.55 163.01 12.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.197 1.799 . . . . 0.0 110.497 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.16 -35.0 74.35 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.06 -27.12 62.48 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.11 -42.71 31.12 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.697 0.681 . . . . 0.0 110.514 171.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.49 -43.26 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.091 0.957 . . . . 0.0 111.329 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.38 71.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.867 0.867 . . . . 0.0 113.252 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -76.42 -41.55 47.24 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.348 1.059 . . . . 0.0 111.258 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -68.53 -30.36 69.15 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.223 0.609 . . . . 0.0 112.5 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -59.19 -39.47 82.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.608 1.163 . . . . 0.0 112.514 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.26 -41.16 99.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.649 0.78 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.06 59.75 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 176.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -63.04 -39.4 94.61 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.145 0.978 . . . . 0.0 111.585 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -68.1 -17.22 64.31 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -30.14 56.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.626 1.103 . . . . 0.0 112.164 174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.69 -21.11 25.42 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.084 1.354 . . . . 0.0 112.753 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -73.93 71.98 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 110.872 168.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -63.89 -25.92 68.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.844 1.658 . . . . 0.0 114.192 -175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -89.78 -15.97 31.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.754 1.622 . . . . 0.0 113.331 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 23.55 76.73 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.251 0.929 . . . . 0.0 113.386 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -99.95 -4.86 29.24 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.483 1.513 . . . . 0.0 113.701 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.82 13.38 56.73 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 124.9 1.238 . . . . 0.0 114.804 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 151.38 50.98 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.167 1.387 . . . . 0.0 112.974 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.65 166.19 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.746 1.618 . . . . 0.0 109.976 165.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 p -75.92 163.26 27.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.978 0.808 . . . . 0.0 112.313 168.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.0 p -60.83 -35.49 76.66 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.098 0.959 . . . . 0.0 111.724 167.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -61.25 -42.03 97.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.768 1.227 . . . . 0.0 112.963 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.86 -15.65 61.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.491 1.116 . . . . 0.0 113.439 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.31 -50.05 72.54 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.934 0.894 . . . . 0.0 110.572 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -17.94 68.43 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 118.843 -0.976 . . . . 0.0 113.872 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 m -86.03 -44.48 12.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.299 1.44 . . . . 0.0 110.954 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.13 -30.18 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 119.982 1.265 . . . . 0.0 112.741 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.9 mmt -57.97 -45.48 86.65 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.195 0.907 . . . . 0.0 111.187 167.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -74.71 -28.47 60.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.384 1.074 . . . . 0.0 113.215 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -31.19 72.02 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.007 0.923 . . . . 0.0 111.801 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.4 mt -86.2 -1.36 57.37 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.798 1.639 . . . . 0.0 113.576 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.21 6.1 63.28 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 118.2 -1.334 . . . . 0.0 115.87 169.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -107.67 136.41 47.47 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.992 1.896 . . . . 0.0 111.239 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -114.92 85.91 12.59 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.182 1.393 . . . . 0.0 110.697 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.59 146.48 55.13 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.149 2.566 . . . . 0.0 110.493 174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -68.22 162.14 25.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.849 0.859 . . . . 0.0 110.575 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -54.4 -39.03 66.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.238 0.615 . . . . 0.0 112.271 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.62 -47.27 67.11 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -69.58 -31.86 70.28 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.603 0.638 . . . . 0.0 111.852 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.99 -48.52 65.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.936 1.294 . . . . 0.0 111.191 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.11 -37.25 86.45 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.159 0.584 . . . . 0.0 111.375 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.39 -32.15 72.07 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.654 1.182 . . . . 0.0 113.16 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.5 mtm -77.9 -46.45 21.3 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.015 0.825 . . . . 0.0 111.654 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.03 -55.22 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.401 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -64.9 -20.42 66.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.153 0.888 . . . . 0.0 113.288 -171.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -76.46 -27.6 56.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.62 1.168 . . . . 0.0 113.167 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.91 -27.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.348 0.976 . . . . 0.0 113.3 178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -90.2 26.21 1.96 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.308 1.443 . . . . 0.0 112.026 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.1 -23.04 65.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.513 1.125 . . . . 0.0 113.768 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.09 -12.23 58.35 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.65 1.58 . . . . 0.0 113.635 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.35 14.01 77.41 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.282 1.42 . . . . 0.0 115.764 171.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -70.9 -22.94 62.2 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.56 9.24 83.6 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.204 1.383 . . . . 0.0 113.44 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 p -138.0 157.62 46.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.092 1.757 . . . . 0.0 111.915 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.3 mt -129.82 129.99 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.06 1.744 . . . . 0.0 108.179 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -92.78 156.21 17.16 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.45 1.1 . . . . 0.0 110.118 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.65 -47.31 79.02 Favored Pre-proline 0 CA--C 1.549 0.937 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -172.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -23.18 24.57 Favored 'Trans proline' 0 C--N 1.356 0.935 0 CA-C-N 122.59 1.961 . . . . 0.0 113.2 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -72.09 -41.73 66.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.225 0.921 . . . . 0.0 110.76 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -62.82 -39.21 93.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 0.0 112.29 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -68.78 -31.41 70.4 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.148 -0.93 . . . . 0.0 111.971 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -63.38 -45.51 90.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.995 1.27 . . . . 0.0 111.617 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.3 -32.23 73.77 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.595 0.634 . . . . 0.0 112.411 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.6 mmm -71.74 -43.7 65.37 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.475 -0.766 . . . . 0.0 112.082 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.86 -41.92 83.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.165 1.386 . . . . 0.0 112.584 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.68 -31.26 68.09 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.743 1.217 . . . . 0.0 113.223 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.08 -19.68 60.52 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.6 mmt -83.83 -7.56 59.42 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -59.98 149.27 32.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.725 1.148 . . . . 0.0 113.735 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.09 -4.0 28.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.675 1.19 . . . . 0.0 114.052 -171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -137.84 149.83 46.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.056 1.342 . . . . 0.0 111.908 -171.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.26 157.06 36.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.475 1.51 . . . . 0.0 111.156 164.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.2 m -77.78 140.42 39.44 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -163.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.52 -38.87 72.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.403 1.081 . . . . 0.0 113.489 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.24 -30.28 70.14 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -68.62 -41.33 79.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.118 0.567 . . . . 0.0 110.186 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -67.28 -45.4 86.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.822 1.249 . . . . 0.0 110.084 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -61.12 -47.14 87.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.233 1.013 . . . . 0.0 112.434 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -69.22 -28.27 66.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.73 99.35 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.954 0.797 . . . . 0.0 111.058 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.92 -39.96 91.01 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.062 -0.399 . . . . 0.0 111.867 171.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -68.82 -24.96 64.45 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.7 t -61.02 -32.29 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.118 0.872 . . . . 0.0 112.313 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -91.27 -19.74 22.65 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -61.94 142.32 57.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.253 1.421 . . . . 0.0 111.598 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -80.77 -17.35 51.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.455 1.102 . . . . 0.0 113.64 -175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -151.93 -10.2 0.2 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -172.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.89 22.76 48.34 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.14 1.352 . . . . 0.0 112.424 -166.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -16.83 61.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.113 1.365 . . . . 0.0 114.643 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.2 6.08 57.89 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.419 1.485 . . . . 0.0 114.97 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -134.45 146.33 49.7 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 pt -136.37 165.15 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 127.379 2.271 . . . . 0.0 109.935 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -75.93 150.07 37.59 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.294 -1.503 . . . . 0.0 112.625 173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.21 76.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.087 -1.008 . . . . 0.0 112.747 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.73 71.71 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.596 0.759 . . . . 0.0 111.167 173.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.02 -47.07 88.16 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.129 1.372 . . . . 0.0 111.477 171.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.49 -29.73 70.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.717 0.689 . . . . 0.0 112.746 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -68.48 -49.58 58.73 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.433 1.015 . . . . 0.0 110.488 169.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -65.99 -44.03 86.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.981 0.912 . . . . 0.0 112.876 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.66 -20.05 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.24 1.016 . . . . 0.0 112.6 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 38.7 mmt -92.98 -25.08 18.15 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.096 1.759 . . . . 0.0 114.237 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.6 p -102.24 -6.51 23.08 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.879 1.272 . . . . 0.0 113.348 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -111.87 -61.02 1.77 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.456 1.102 . . . . 0.0 112.412 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -82.22 146.96 29.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.719 1.208 . . . . 0.0 112.039 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.82 44.37 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.948 0.785 . . . . 0.0 112.449 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -74.37 169.12 18.31 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 122.534 -0.392 . . . . 0.0 110.759 163.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -127.05 119.94 27.8 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.59 -0.693 . . . . 0.0 111.559 -175.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -81.78 172.21 13.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.895 0.878 . . . . 0.0 112.092 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.36 150.09 46.66 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.862 1.665 . . . . 0.0 113.146 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -66.92 -27.59 67.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 113.195 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.17 -35.19 59.27 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.679 -0.638 . . . . 0.0 111.855 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -45.86 43.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.156 0.982 . . . . 0.0 110.742 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.19 -30.42 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.903 1.229 . . . . 0.0 111.767 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.34 -44.52 83.07 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.021 -1.049 . . . . 0.0 111.931 170.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.98 -41.0 95.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.246 0.618 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.6 ttm -55.77 -41.88 74.69 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.272 1.029 . . . . 0.0 111.639 174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.7 mm -75.55 -43.75 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.584 0.754 . . . . 0.0 112.056 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.464 1.029 . . . . 0.0 113.186 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.58 -12.19 60.0 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.35 -35.98 7.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.9 1.28 . . . . 0.0 112.921 172.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.29 -15.56 62.65 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.826 2.051 . . . . 0.0 114.199 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.8 pp -63.48 -11.11 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.7 -26.41 60.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.562 1.145 . . . . 0.0 112.262 169.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.02 -11.09 56.17 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.765 1.65 . . . . 0.0 116.4 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -82.81 -20.14 36.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 118.978 1.389 . . . . 0.0 114.106 -173.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.02 -9.93 74.88 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.219 1.39 . . . . 0.0 114.351 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -99.06 143.39 29.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.13 1.372 . . . . 0.0 109.95 167.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.12 122.81 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 126.435 1.894 . . . . 0.0 108.249 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.16 94.68 4.12 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 162.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -73.2 -21.89 60.57 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.0 -41.57 98.2 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.286 0.634 . . . . 0.0 111.651 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.01 -26.58 39.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.663 0.785 . . . . 0.0 112.752 172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.53 -27.32 68.88 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.833 -1.167 . . . . 0.0 113.12 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.7 -38.92 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.678 1.191 . . . . 0.0 112.081 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -66.3 -33.0 74.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.44 0.696 . . . . 0.0 111.644 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 mtt -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.697 0.799 . . . . 0.0 112.155 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.5 mtm -82.76 -26.1 32.19 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -78.41 -26.88 46.56 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.613 1.097 . . . . 0.0 111.609 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.37 -175.16 3.61 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.065 1.346 . . . . 0.0 113.297 172.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.9 tttm . . . . . 0 C--O 1.255 1.355 0 C-N-CA 127.228 2.211 . . . . 0.0 110.639 176.034 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 CA-C-O 119.29 -0.728 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.34 155.54 40.35 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 124.335 3.357 . . . . 0.0 113.61 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -74.51 166.71 54.82 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 123.928 0.775 . . . . 0.0 114.079 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 42.1 m -64.25 -40.08 95.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.13 0.972 . . . . 0.0 110.789 -177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 48.0 mp0 -59.54 -43.36 93.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.012 2.125 . . . . 0.0 111.46 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.71 -44.51 73.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.171 0.588 . . . . 0.0 111.72 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.7 m -73.08 -28.55 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.718 0.69 . . . . 0.0 112.176 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -66.17 -44.27 84.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.461 1.028 . . . . 0.0 111.332 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.63 -27.16 66.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.533 1.133 . . . . 0.0 112.958 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 59.8 mtt -66.61 -42.27 87.11 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.595 0.758 . . . . 0.0 112.577 172.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 88.5 t -67.26 -37.67 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.095 0.862 . . . . 0.0 111.376 -169.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.11 -48.68 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.161 0.584 . . . . 0.0 110.857 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -74.96 -24.33 58.44 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -67.75 -44.12 78.28 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.601 1.091 . . . . 0.0 111.248 169.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.08 95.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.468 0.707 . . . . 0.0 111.954 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.7 -45.96 84.37 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -67.88 -36.64 80.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.251 0.932 . . . . 0.0 112.183 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.59 -34.16 77.58 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.809 1.243 . . . . 0.0 111.871 172.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.14 -47.15 65.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.565 1.146 . . . . 0.0 112.446 170.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.01 -32.78 72.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.425 1.49 . . . . 0.0 112.292 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.73 -28.35 65.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.032 0.933 . . . . 0.0 112.354 171.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -80.79 -18.1 48.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.368 0.985 . . . . 0.0 112.696 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.24 -37.54 25.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.137 0.975 . . . . 0.0 111.52 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.9 m -84.47 -29.48 26.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.7 mm? 67.76 -53.26 0.51 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 130.163 3.385 . . . . 0.0 112.948 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.0 147.86 48.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.364 1.066 . . . . 0.0 111.984 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.88 152.39 27.51 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.796 1.238 . . . . 0.0 113.546 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -139.29 169.35 17.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.208 1.403 . . . . 0.0 111.589 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 22.6 t -153.77 149.91 27.93 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.741 1.217 . . . . 0.0 111.588 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -115.47 -10.05 12.0 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.44 1.496 . . . . 0.0 113.81 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.255 1.363 0 C-N-CA 126.536 1.934 . . . . 0.0 110.452 -177.486 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -160.69 -46.83 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.008 1.323 . . . . 0.0 113.646 -177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 72.35 178.15 0.25 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.241 2.616 . . . . 0.0 113.102 178.223 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.34 150.6 48.62 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -164.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.5 p -112.25 162.09 15.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.424 1.889 . . . . 0.0 111.35 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.52 -32.78 73.77 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.523 0.729 . . . . 0.0 112.65 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.93 -25.8 60.17 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.21 -45.41 56.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.173 0.897 . . . . 0.0 110.702 167.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -56.94 -38.45 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.402 0.681 . . . . 0.0 111.554 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -28.61 69.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.83 -39.91 15.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.2 1.0 . . . . 0.0 111.724 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -65.85 -29.11 69.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.491 0.716 . . . . 0.0 111.924 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.17 -43.58 95.71 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.51 1.124 . . . . 0.0 112.239 172.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -65.9 -37.93 87.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.745 0.818 . . . . 0.0 112.025 178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.26 67.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.383 0.673 . . . . 0.0 112.491 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.23 -40.98 98.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.329 1.051 . . . . 0.0 112.25 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 m -67.93 -15.68 63.72 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -30.07 63.7 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.045 1.293 . . . . 0.0 111.359 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -86.85 -21.75 26.2 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.295 1.438 . . . . 0.0 112.634 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -75.62 85.03 2.66 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.732 1.213 . . . . 0.0 110.749 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.78 -27.29 62.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.46 -15.91 29.95 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.66 1.184 . . . . 0.0 113.544 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.4 74.05 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.982 1.277 . . . . 0.0 113.862 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.73 -6.96 53.75 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.316 1.446 . . . . 0.0 114.002 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.69 16.06 53.04 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.324 1.44 . . . . 0.0 115.044 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.3 p -129.77 154.05 47.6 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.38 1.472 . . . . 0.0 112.467 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -117.83 160.25 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.375 1.47 . . . . 0.0 110.527 168.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 m -75.4 151.39 38.16 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.643 -0.661 . . . . 0.0 109.293 169.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 p -58.73 -30.87 67.81 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.579 1.152 . . . . 0.0 112.526 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.24 -27.27 68.88 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.176 1.79 . . . . 0.0 113.465 173.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -88.72 -7.97 55.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.919 1.288 . . . . 0.0 112.516 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.22 -49.3 78.38 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.058 0.943 . . . . 0.0 111.341 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.09 -25.44 68.1 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 121.666 -0.646 . . . . 0.0 113.341 175.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 m -76.72 -49.31 16.35 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.684 1.194 . . . . 0.0 110.919 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.14 -31.43 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 118.921 0.782 . . . . 0.0 112.382 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.4 mmt -56.37 -52.23 65.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.73 0.812 . . . . 0.0 111.316 166.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -62.19 -40.83 97.37 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.131 1.373 . . . . 0.0 112.548 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -66.58 -26.41 67.09 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.116 -0.99 . . . . 0.0 113.526 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.05 11.59 22.54 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.437 1.495 . . . . 0.0 113.173 171.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.79 12.36 78.36 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 124.38 0.99 . . . . 0.0 114.795 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -77.62 146.61 36.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.083 0.942 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -124.51 55.29 9.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.35 147.71 42.17 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.201 2.601 . . . . 0.0 111.224 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.3 m -73.39 162.26 29.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.465 1.106 . . . . 0.0 110.334 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -53.82 -40.49 66.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.19 1.396 . . . . 0.0 112.738 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.42 80.14 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.924 0.89 . . . . 0.0 112.621 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.38 -45.07 66.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.528 0.731 . . . . 0.0 111.116 175.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.18 -48.06 79.69 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.288 0.635 . . . . 0.0 111.286 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.68 -47.59 84.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.754 0.422 . . . . 0.0 111.504 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.68 -31.32 71.21 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.486 -0.759 . . . . 0.0 112.922 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.1 mtm -69.71 -31.15 69.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.804 -0.56 . . . . 0.0 111.377 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.09 -48.63 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 118.939 0.79 . . . . 0.0 109.394 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -57.29 -27.6 62.29 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -70.58 -28.73 65.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.335 1.054 . . . . 0.0 112.827 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.85 -28.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.4 17.78 5.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.137 1.375 . . . . 0.0 112.576 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.16 -23.09 63.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 113.433 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -78.34 -11.14 59.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.01 1.324 . . . . 0.0 113.73 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.38 18.74 70.59 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.12 1.343 . . . . 0.0 115.135 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.03 -30.4 67.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.33 4.94 90.35 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.186 1.374 . . . . 0.0 113.71 -171.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.8 p -140.07 161.25 38.07 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.688 1.995 . . . . 0.0 110.957 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.9 mt -121.64 131.96 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 125.886 1.675 . . . . 0.0 108.76 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -94.73 151.97 18.83 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.305 1.442 . . . . 0.0 110.518 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.95 -51.54 66.32 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-O 116.834 -1.555 . . . . 0.0 114.939 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -66.51 -23.18 50.53 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.342 2.028 . . . . 0.0 113.57 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.85 -41.13 62.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.582 1.083 . . . . 0.0 110.755 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -61.6 -39.38 91.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 111.99 169.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.55 -32.04 71.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.231 -0.918 . . . . 0.0 112.363 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -63.62 -46.86 83.8 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.099 0.96 . . . . 0.0 110.742 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 ptp -65.45 -39.77 92.43 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.902 0.773 . . . . 0.0 111.971 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.3 mmm -62.72 -33.59 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.041 0.936 . . . . 0.0 112.437 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.47 -54.45 9.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.328 1.051 . . . . 0.0 112.537 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.99 -37.4 79.55 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.692 1.197 . . . . 0.0 113.907 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -67.12 -15.67 63.86 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtt -81.17 -5.57 57.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.543 1.137 . . . . 0.0 113.278 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -136.68 23.31 3.13 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.239 1.416 . . . . 0.0 114.671 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.96 67.12 5.66 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.194 2.198 . . . . 0.0 111.429 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -133.79 178.43 6.95 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.277 1.431 . . . . 0.0 113.239 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.05 176.49 12.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.79 2.436 . . . . 0.0 111.408 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 p -147.52 159.29 43.91 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -175.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.47 -32.3 68.62 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.311 1.444 . . . . 0.0 111.538 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.93 -38.26 66.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.902 0.881 . . . . 0.0 111.806 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.0 -38.74 91.97 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.079 0.854 . . . . 0.0 110.513 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.67 -40.48 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.47 1.108 . . . . 0.0 110.898 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -64.38 -42.54 96.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.762 0.825 . . . . 0.0 112.634 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.89 -35.2 76.03 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.507 -0.746 . . . . 0.0 112.424 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.01 79.93 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.453 -0.78 . . . . 0.0 112.734 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -70.93 -39.0 72.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.125 0.875 . . . . 0.0 112.645 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.03 -27.28 69.0 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.89 -35.72 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.174 0.99 . . . . 0.0 112.428 169.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -88.59 -21.0 24.26 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -65.91 139.06 58.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.47 1.108 . . . . 0.0 110.948 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -78.57 -12.5 60.02 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -172.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -146.15 -14.93 0.46 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.325 1.45 . . . . 0.0 114.33 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.49 25.67 32.42 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.994 1.283 . . . . 0.0 112.237 -167.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -76.19 -25.5 55.25 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.181 1.392 . . . . 0.0 114.149 -171.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.57 13.61 29.76 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 125.554 1.55 . . . . 0.0 113.512 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -142.51 139.46 31.48 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.284 1.434 . . . . 0.0 114.461 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -138.38 156.41 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.078 1.751 . . . . 0.0 110.66 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -74.66 136.19 41.91 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.669 -1.269 . . . . 0.0 111.827 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.144 -0.972 . . . . 0.0 113.212 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.95 81.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.853 0.861 . . . . 0.0 112.811 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.5 -42.54 74.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.71 0.804 . . . . 0.0 110.764 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.44 -37.42 78.09 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.642 0.777 . . . . 0.0 111.556 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -65.27 -42.52 93.12 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.659 -0.651 . . . . 0.0 112.107 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -71.3 -48.59 49.76 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.799 0.84 . . . . 0.0 113.081 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 p -63.94 -21.22 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.291 1.036 . . . . 0.0 112.518 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -93.96 -17.46 22.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.3 p -101.32 -32.96 10.23 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.477 1.035 . . . . 0.0 112.224 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.91 -55.63 3.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.066 0.946 . . . . 0.0 111.97 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.18 154.0 20.5 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.188 1.395 . . . . 0.0 112.008 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.54 -134.62 14.91 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.587 1.089 . . . . 0.0 111.569 -172.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -82.37 -171.53 3.5 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.471 0.708 . . . . 0.0 109.65 164.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -84.68 165.43 17.9 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.298 -1.501 . . . . 0.0 111.357 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.31 136.47 21.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.584 1.554 . . . . 0.0 108.496 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.0 m -74.47 158.58 33.58 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.399 1.08 . . . . 0.0 111.926 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.8 -44.92 82.43 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.755 1.222 . . . . 0.0 112.201 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.58 -21.36 62.69 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.303 1.041 . . . . 0.0 112.973 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -81.61 -57.58 3.39 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.978 0.911 . . . . 0.0 109.117 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -67.29 -32.32 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -171.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.63 -37.24 82.19 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.054 0.843 . . . . 0.0 111.614 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.65 -27.83 60.59 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.731 0.813 . . . . 0.0 111.881 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 52.2 ttm -57.26 -43.85 83.39 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.135 0.879 . . . . 0.0 111.249 170.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.97 -44.02 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.595 -0.691 . . . . 0.0 110.534 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.56 -27.58 68.73 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.139 0.976 . . . . 0.0 113.243 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -90.15 -37.01 14.49 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.028 1.331 . . . . 0.0 112.639 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.91 -41.34 19.01 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -95.23 -19.64 19.86 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.604 1.561 . . . . 0.0 112.854 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . 0.264 5.9 mt 64.75 48.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.097 1.759 . . . . 0.0 110.547 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 79.7 135.01 0.06 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.911 3.284 . . . . 0.0 113.371 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.73 -154.12 17.19 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.381 1.467 . . . . 0.0 113.578 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -151.41 143.22 23.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.976 1.711 . . . . 0.0 110.824 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.28 -145.1 12.4 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.216 0.912 . . . . 0.0 112.765 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -86.95 123.39 32.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.695 0.798 . . . . 0.0 110.168 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.34 125.38 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 127.252 2.221 . . . . 0.0 109.588 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -80.05 96.13 6.38 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.188 0.518 . . . . 0.0 109.793 166.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -72.52 -25.82 61.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.9 -42.01 86.18 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.61 -0.681 . . . . 0.0 111.648 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.82 -37.53 76.27 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.533 0.733 . . . . 0.0 111.785 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.6 -40.08 93.51 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.088 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.67 -43.92 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.49 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -67.52 -31.19 71.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.206 0.912 . . . . 0.0 112.799 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 77.1 mtm -73.64 -36.9 65.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.233 0.613 . . . . 0.0 112.085 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.6 ttp -72.81 -37.3 67.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.935 1.294 . . . . 0.0 113.093 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p -86.13 -4.44 59.17 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.629 1.171 . . . . 0.0 113.475 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.63 141.75 56.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.321 1.048 . . . . 0.0 112.503 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.254 1.301 0 CA-C-O 115.9 -2.0 . . . . 0.0 113.502 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.5 162.47 38.03 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.541 3.494 . . . . 0.0 111.556 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -75.05 152.68 44.15 Favored Glycine 0 N--CA 1.469 0.892 0 C-N-CA 123.831 0.729 . . . . 0.0 112.779 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 50.6 m -65.0 -40.8 95.46 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.865 0.866 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 42.6 mp0 -58.45 -44.02 89.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.387 1.875 . . . . 0.0 111.237 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.15 -48.25 71.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 110.999 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 28.9 m -71.95 -26.91 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.322 -0.861 . . . . 0.0 113.083 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 75.5 m -67.26 -45.57 76.29 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.09 -1.006 . . . . 0.0 111.24 173.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.02 64.82 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.571 0.748 . . . . 0.0 112.683 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 58.2 mtt -59.19 -30.6 68.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.051 0.94 . . . . 0.0 113.32 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 36.4 t -71.2 -42.17 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.099 0.863 . . . . 0.0 110.288 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.09 -43.85 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.34 0.656 . . . . 0.0 110.117 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.41 -42.93 96.98 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.369 0.668 . . . . 0.0 111.579 176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -60.94 -49.88 75.67 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.772 0.829 . . . . 0.0 111.326 175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.86 97.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.489 0.716 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 50.9 t80 -69.46 -41.17 76.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.205 0.602 . . . . 0.0 112.552 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -63.79 -41.05 98.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.311 0.96 . . . . 0.0 111.988 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -64.32 -35.36 80.6 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.111 0.964 . . . . 0.0 112.687 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 80.0 t60 -66.83 -50.84 61.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.913 0.885 . . . . 0.0 112.242 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.5 -27.99 68.98 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.137 -0.977 . . . . 0.0 113.432 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.98 -26.83 67.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.686 0.795 . . . . 0.0 112.675 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -83.07 -34.81 26.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.611 0.764 . . . . 0.0 111.199 173.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -73.89 -44.59 54.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.643 1.177 . . . . 0.0 112.592 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 49.7 m -111.78 -14.71 13.53 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -168.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 68.55 -49.01 0.56 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 129.688 3.195 . . . . 0.0 114.075 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -109.82 -64.22 1.28 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.812 1.645 . . . . 0.0 110.708 173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 30.9 p80 -177.43 171.2 1.99 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 128.02 2.528 . . . . 0.0 110.492 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -70.23 153.33 43.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.853 0.861 . . . . 0.0 112.225 172.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 50.5 m -79.59 152.96 29.77 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.251 1.02 . . . . 0.0 112.706 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 55.0 p90 -160.6 -42.22 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.308 1.443 . . . . 0.0 112.687 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . 0.408 ' H ' HD23 ' B' 1927 ' ' LEU . 1.8 pt? . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.454 1.902 . . . . 0.0 113.89 176.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.685 0.278 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -100.1 3.06 43.72 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.005 1.322 . . . . 0.0 112.546 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -160.43 153.74 21.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.454 1.902 . . . . 0.0 109.345 -168.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.4 mt -60.47 141.35 56.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.704 -0.622 . . . . 0.0 112.501 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.3 p -96.51 161.54 13.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.899 1.28 . . . . 0.0 111.372 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.87 -31.67 71.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.63 -22.01 61.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.804 0.842 . . . . 0.0 113.24 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -82.12 -43.26 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.037 0.835 . . . . 0.0 110.343 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.19 -36.43 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.273 1.029 . . . . 0.0 110.99 177.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.27 66.55 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.33 -41.77 10.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.627 1.171 . . . . 0.0 111.569 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.41 -33.33 73.51 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.536 -0.728 . . . . 0.0 112.106 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -58.54 -39.97 81.67 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.114 0.966 . . . . 0.0 112.498 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -68.61 -40.22 80.52 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.56 0.618 . . . . 0.0 111.682 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.81 77.35 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.553 -0.717 . . . . 0.0 112.59 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.5 -40.16 73.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.941 0.896 . . . . 0.0 111.792 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.7 m -68.95 -18.39 64.08 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.39 -25.52 59.54 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.716 1.143 . . . . 0.0 112.715 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -89.81 -20.85 23.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 112.94 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -76.09 84.79 2.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.719 1.208 . . . . 0.0 110.948 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -71.83 -27.56 62.99 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -174.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -89.11 -17.64 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.646 1.179 . . . . 0.0 113.155 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.85 16.31 73.04 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.607 1.098 . . . . 0.0 113.849 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -94.13 -5.53 46.98 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.482 1.513 . . . . 0.0 113.992 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 16.42 53.44 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.838 1.209 . . . . 0.0 114.586 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.6 p -125.63 152.07 45.66 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.327 1.451 . . . . 0.0 112.501 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.66 164.55 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.796 1.638 . . . . 0.0 109.776 166.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.7 p -76.38 164.36 26.09 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.356 0.98 . . . . 0.0 112.494 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 33.3 p -62.71 -26.01 68.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.143 168.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -74.78 -44.35 50.01 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.472 1.109 . . . . 0.0 111.505 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -66.08 -20.97 66.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.76 1.224 . . . . 0.0 113.506 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.64 -52.1 63.34 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.572 -0.705 . . . . 0.0 111.447 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.36 -19.22 59.57 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 119.378 -0.679 . . . . 0.0 113.494 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 m -85.06 -43.37 13.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.347 1.459 . . . . 0.0 111.399 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.33 -27.99 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.203 1.365 . . . . 0.0 111.974 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.5 mmt -54.06 -51.05 65.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.769 0.828 . . . . 0.0 110.81 166.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.15 -28.65 61.42 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.282 1.033 . . . . 0.0 113.338 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -60.98 -32.25 71.81 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.188 -0.945 . . . . 0.0 112.039 167.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.66 11.07 30.23 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.59 1.956 . . . . 0.0 113.276 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.15 87.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.82 1.2 . . . . 0.0 115.156 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -90.03 132.58 35.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.923 1.289 . . . . 0.0 109.432 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -120.48 64.68 11.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 124.022 0.929 . . . . 0.0 112.681 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -73.42 142.13 32.75 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.319 2.679 . . . . 0.0 111.225 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 m -70.67 159.66 34.02 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.013 0.925 . . . . 0.0 109.961 175.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.13 -35.56 69.64 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.929 0.892 . . . . 0.0 112.745 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -33.41 74.33 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.851 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -74.34 -40.92 61.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.779 0.832 . . . . 0.0 110.731 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -58.67 -48.68 80.24 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.086 0.954 . . . . 0.0 110.474 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -58.81 -42.52 89.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.083 0.856 . . . . 0.0 111.948 176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.62 -35.36 79.32 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.049 0.94 . . . . 0.0 113.519 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 ptp -83.67 -35.96 24.14 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.075 0.852 . . . . 0.0 112.962 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -64.96 -54.82 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.583 1.153 . . . . 0.0 110.89 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -63.74 -21.41 66.39 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.752 1.16 . . . . 0.0 113.314 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.45 -22.14 51.85 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 113.364 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.02 -28.37 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.761 1.164 . . . . 0.0 113.362 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.8 25.04 2.89 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.984 1.714 . . . . 0.0 112.714 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.49 -20.25 62.97 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.897 1.279 . . . . 0.0 113.676 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.08 -15.34 59.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.32 1.448 . . . . 0.0 113.385 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.91 18.18 79.06 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.782 1.182 . . . . 0.0 113.758 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -73.34 -30.22 63.19 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.854 1.662 . . . . 0.0 113.404 -170.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.31 5.18 82.93 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.765 1.65 . . . . 0.0 114.342 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -136.1 156.4 48.77 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.779 1.632 . . . . 0.0 112.744 -171.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.78 131.39 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.066 2.146 . . . . 0.0 108.888 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -87.73 156.68 19.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 112.026 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.24 -51.4 81.13 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.71 -26.87 45.29 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.723 2.282 . . . . 0.0 113.298 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.91 -39.57 69.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.599 1.16 . . . . 0.0 111.472 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -62.58 -42.69 99.72 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.24 1.416 . . . . 0.0 111.997 168.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.4 -32.18 73.68 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.193 -0.942 . . . . 0.0 112.547 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.1 m -64.01 -47.8 78.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.18 0.992 . . . . 0.0 110.971 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.4 ptp -67.18 -31.61 72.14 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.509 0.595 . . . . 0.0 112.47 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.81 -41.97 74.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.991 . . . . 0.0 112.116 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -51.34 69.74 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.346 1.058 . . . . 0.0 112.329 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.0 -21.87 66.69 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.266 1.426 . . . . 0.0 113.282 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -88.6 -15.94 33.78 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.9 mmt -58.03 138.95 55.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.743 1.217 . . . . 0.0 113.47 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -91.76 161.25 14.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.121 1.369 . . . . 0.0 113.546 -168.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -81.11 -36.25 30.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.204 1.402 . . . . 0.0 112.136 168.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.279 13.6 t 47.62 -145.67 0.28 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.016 2.526 . . . . 0.0 113.639 168.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -154.67 149.01 26.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.638 1.975 . . . . 0.0 112.184 173.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.2 t -169.57 149.01 3.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 110.48 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.42 -30.39 62.74 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -71.22 -42.28 69.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.82 0.848 . . . . 0.0 111.993 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -68.53 -40.7 80.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.003 0.921 . . . . 0.0 110.442 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.45 -42.5 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.959 1.304 . . . . 0.0 110.68 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -61.93 -45.31 94.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.498 0.719 . . . . 0.0 112.432 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -63.34 -32.64 74.12 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.26 96.87 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.469 1.031 . . . . 0.0 111.579 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -68.46 -39.11 81.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.732 -0.605 . . . . 0.0 112.383 169.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -64.53 -32.01 73.47 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.684 0.794 . . . . 0.0 112.686 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.52 -37.11 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.675 1.19 . . . . 0.0 111.908 170.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.69 -23.83 31.54 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -68.6 117.32 10.18 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.923 0.868 . . . . 0.0 110.242 170.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -81.69 -8.86 59.75 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 113.921 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.5 -20.76 5.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.35 1.46 . . . . 0.0 113.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.4 19.25 69.37 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.853 1.216 . . . . 0.0 113.123 -172.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.85 -19.73 61.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.826 1.65 . . . . 0.0 114.472 -174.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.56 11.1 52.19 Favored Glycine 0 N--CA 1.476 1.33 0 C-N-CA 125.49 1.519 . . . . 0.0 113.922 -176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -138.44 142.94 39.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.052 1.341 . . . . 0.0 113.075 -176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.55 159.67 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.773 1.629 . . . . 0.0 110.623 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 m -80.41 139.95 36.25 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.015 -1.053 . . . . 0.0 111.746 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.9 98.63 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.856 -1.152 . . . . 0.0 112.918 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.13 71.17 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 0.0 113.096 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.98 -44.57 30.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.399 1.48 . . . . 0.0 111.203 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.79 -39.45 94.28 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.056 0.844 . . . . 0.0 111.991 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -55.23 -54.34 44.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.862 0.865 . . . . 0.0 111.091 166.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -66.63 -42.41 86.81 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.2 -23.2 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.519 -1.363 . . . . 0.0 112.53 -176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.51 -20.61 50.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.84 1.256 . . . . 0.0 114.359 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 77.4 p -108.83 -12.66 14.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.9 1.28 . . . . 0.0 113.636 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -103.99 -42.67 5.5 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.16 152.76 18.5 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.491 1.116 . . . . 0.0 112.333 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.9 -152.74 50.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.309 1.433 . . . . 0.0 114.154 166.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.86 140.06 55.19 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 160.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -91.83 140.34 29.78 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.9 tp -87.8 155.32 19.95 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.564 1.546 . . . . 0.0 110.609 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.1 p -83.78 162.52 20.6 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.94 -39.64 78.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.266 1.426 . . . . 0.0 111.98 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.89 -42.7 94.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.0 1.72 . . . . 0.0 110.915 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.68 -43.64 65.65 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.123 0.969 . . . . 0.0 112.135 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -67.74 -32.36 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.343 1.428 . . . . 0.0 111.983 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.45 -39.47 92.06 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.07 0.85 . . . . 0.0 112.054 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -64.21 -48.11 77.11 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.486 0.585 . . . . 0.0 111.279 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttm -56.65 -50.79 71.03 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.413 1.085 . . . . 0.0 112.114 -176.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.13 -40.42 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.399 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -65.17 -37.23 86.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.21 -20.57 60.84 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.85 -43.7 12.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.928 0.891 . . . . 0.0 112.614 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.29 -22.42 66.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.493 1.517 . . . . 0.0 114.121 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.5 pt -69.75 -17.56 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 172.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -109.67 -32.49 7.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.239 1.416 . . . . 0.0 112.127 172.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -80.77 -161.26 25.35 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.48 1.514 . . . . 0.0 114.004 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -160.72 67.75 0.33 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.214 1.406 . . . . 0.0 110.447 -175.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.34 -43.55 2.31 Favored Glycine 0 N--CA 1.473 1.14 0 C-N-CA 125.062 1.315 . . . . 0.0 112.588 -170.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -89.04 146.39 24.88 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.663 1.185 . . . . 0.0 110.542 165.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.0 t -88.36 124.24 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.978 1.711 . . . . 0.0 109.507 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.44 73.53 7.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.992 1.317 . . . . 0.0 110.383 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -63.07 -23.96 67.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.59 -39.25 79.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.688 0.795 . . . . 0.0 112.343 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -80.12 -34.97 37.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.232 1.013 . . . . 0.0 111.698 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -62.21 -28.58 69.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.982 1.313 . . . . 0.0 113.241 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.06 -39.56 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.544 1.138 . . . . 0.0 112.522 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -68.42 -25.92 65.27 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.143 0.883 . . . . 0.0 111.887 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.1 mtt -70.46 -19.88 62.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.31 1.044 . . . . 0.0 112.73 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 18.0 mmt -78.12 -42.05 33.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.043 1.337 . . . . 0.0 112.282 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.4 p -84.87 -36.33 21.61 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.955 1.302 . . . . 0.0 111.587 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 64.41 -157.44 0.3 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 126.456 1.902 . . . . 0.0 113.747 164.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.979 1.712 . . . . 0.0 112.981 -177.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -73.67 149.13 42.92 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 124.372 3.381 . . . . 0.0 111.879 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -99.14 19.27 54.8 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.87 1.7 . . . . 0.0 114.009 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 22.9 m -63.66 -41.08 98.25 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.623 1.212 . . . . 0.0 111.181 -169.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.55 -42.68 99.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 112.005 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.89 -45.25 78.61 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.516 -0.74 . . . . 0.0 111.663 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.0 m -71.08 -31.43 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 69.8 m -63.17 -43.7 97.53 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.345 -0.847 . . . . 0.0 111.495 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -59.53 -30.77 68.84 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.386 -0.821 . . . . 0.0 112.669 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.0 mtm -79.34 -16.72 55.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 55.7 t -81.61 -43.72 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.758 1.163 . . . . 0.0 110.939 172.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.49 -35.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.542 0.61 . . . . 0.0 111.767 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.4 -34.7 76.5 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -65.95 -39.97 90.91 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.512 1.051 . . . . 0.0 111.186 171.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.92 96.21 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.242 1.417 . . . . 0.0 111.422 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -72.46 -35.77 68.32 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.475 -0.766 . . . . 0.0 112.763 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.54 -21.22 61.93 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.217 -0.927 . . . . 0.0 112.402 172.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -73.84 -39.69 63.83 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.368 1.067 . . . . 0.0 111.755 164.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 71.3 t60 -58.4 -51.47 69.68 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.224 0.92 . . . . 0.0 112.748 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.11 -21.82 59.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.983 1.313 . . . . 0.0 114.43 -172.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 96.9 mt -87.87 -62.25 1.53 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.215 1.006 . . . . 0.0 110.519 170.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -69.99 -11.24 60.73 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -168.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -55.01 -28.05 49.01 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 172.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 75.0 p -169.69 -24.38 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 68.89 -43.09 0.5 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 129.719 3.208 . . . . 0.0 113.579 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 84.4 tttt -72.0 145.92 48.03 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.401 1.48 . . . . 0.0 112.386 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 35.1 p80 -68.53 -27.6 66.24 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -85.88 123.83 31.68 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.479 1.112 . . . . 0.0 111.489 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 43.0 p -91.56 -19.3 22.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.054 1.341 . . . . 0.0 113.838 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 53.8 p90 -93.35 -13.99 27.43 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.421 1.488 . . . . 0.0 114.039 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.5 1.52 . . . . 0.0 112.389 178.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -108.34 9.04 27.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.324 1.85 . . . . 0.0 112.648 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.46 167.21 31.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.779 1.231 . . . . 0.0 112.712 -158.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.5 mt -57.13 147.24 25.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -93.25 160.06 15.0 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.879 1.672 . . . . 0.0 111.515 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -34.53 71.9 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.612 0.765 . . . . 0.0 112.987 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.9 -24.67 61.68 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -81.17 -44.27 18.1 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.83 0.852 . . . . 0.0 110.31 170.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.73 -37.39 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.914 1.286 . . . . 0.0 111.952 176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -23.77 67.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.441 1.096 . . . . 0.0 113.723 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.98 -39.85 12.71 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.81 0.844 . . . . 0.0 111.691 173.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.33 -30.53 71.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.405 0.682 . . . . 0.0 112.76 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.16 -44.3 71.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.592 1.157 . . . . 0.0 112.555 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -38.3 87.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.278 0.631 . . . . 0.0 111.935 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.67 -47.65 45.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.151 0.432 . . . . 0.0 111.817 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -58.54 -42.04 86.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.808 0.843 . . . . 0.0 112.354 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 m -66.32 -18.55 65.42 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -29.66 38.71 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.084 1.311 . . . . 0.0 111.808 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 35' ' ' VAL . 77.2 m-85 -88.06 -11.77 46.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.946 1.299 . . . . 0.0 113.005 175.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.81 63.3 2.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.035 1.734 . . . . 0.0 110.568 166.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -67.82 -25.66 65.68 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.903 1.281 . . . . 0.0 113.835 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.16 -16.81 36.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.79 1.236 . . . . 0.0 113.303 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.82 13.76 80.81 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.674 1.13 . . . . 0.0 114.403 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.15 -18.6 42.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 113.736 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.3 20.44 25.26 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.904 1.24 . . . . 0.0 113.921 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -133.26 151.85 51.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.407 1.483 . . . . 0.0 111.144 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.28 161.69 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.152 0.981 . . . . 0.0 110.462 166.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -79.25 153.53 29.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.551 0.741 . . . . 0.0 111.339 166.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -60.75 -35.59 76.78 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.475 1.11 . . . . 0.0 111.871 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.32 -35.76 80.09 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 113.078 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -85.83 -8.09 58.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.312 1.045 . . . . 0.0 113.137 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.23 -47.7 68.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.519 1.054 . . . . 0.0 110.998 174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.8 -13.59 59.41 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.722 1.153 . . . . 0.0 114.414 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.6 m -92.7 -41.04 10.38 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.88 1.672 . . . . 0.0 110.596 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 19' ' ' PHE . 1.6 t -60.91 -40.45 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 119.536 1.062 . . . . 0.0 110.377 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -53.54 -53.17 55.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.048 0.939 . . . . 0.0 110.903 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.89 -26.3 63.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.063 0.945 . . . . 0.0 113.19 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.9 m -70.01 -19.4 63.32 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.244 -0.91 . . . . 0.0 112.997 170.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.93 -2.19 26.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.653 1.981 . . . . 0.0 113.324 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.42 5.89 66.74 Favored Glycine 0 N--CA 1.475 1.292 0 C-N-CA 125.295 1.426 . . . . 0.0 115.138 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -85.0 128.33 34.58 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.134 1.467 . . . . 0.0 109.446 172.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -119.65 73.16 16.37 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 124.057 0.943 . . . . 0.0 111.137 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.91 131.32 16.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.464 2.776 . . . . 0.0 111.443 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.77 156.56 13.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.537 1.135 . . . . 0.0 109.296 167.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.29 -34.11 63.84 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.87 74.42 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.263 1.025 . . . . 0.0 112.951 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.57 -37.17 82.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.137 1.375 . . . . 0.0 111.372 175.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.43 -48.77 71.62 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.251 1.02 . . . . 0.0 110.488 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -63.69 -36.76 84.9 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.477 0.581 . . . . 0.0 111.491 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.51 -34.58 75.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.975 0.91 . . . . 0.0 112.695 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.1 mtm -75.6 -42.41 51.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 111.373 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.58 -56.63 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.529 0.604 . . . . 0.0 110.575 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -65.82 -17.52 64.69 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.72 -27.2 64.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.438 1.095 . . . . 0.0 113.446 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -112.44 -24.66 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.184 0.994 . . . . 0.0 113.354 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.91 23.72 3.55 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.312 1.845 . . . . 0.0 112.675 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.1 -24.05 66.89 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.75 1.22 . . . . 0.0 113.306 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -80.01 -15.76 56.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.588 1.555 . . . . 0.0 113.25 173.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.9 17.57 79.7 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.199 1.381 . . . . 0.0 113.375 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.36 -26.38 63.71 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.747 1.219 . . . . 0.0 113.89 -169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.76 0.51 87.68 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.483 1.516 . . . . 0.0 114.982 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.0 p -137.55 160.8 38.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.828 1.651 . . . . 0.0 112.299 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mt -132.2 132.66 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.738 2.015 . . . . 0.0 108.762 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.98 157.25 16.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.87 1.268 . . . . 0.0 110.854 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 28.3 t80 -56.95 -43.85 99.56 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.764 -172.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -61.2 -35.52 85.09 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.752 2.301 . . . . 0.0 113.421 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -70.96 -43.85 67.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.618 0.767 . . . . 0.0 110.926 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.08 -45.48 90.73 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.52 1.128 . . . . 0.0 112.365 172.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.42 -35.78 81.55 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.651 -0.656 . . . . 0.0 112.108 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -63.77 -44.04 94.58 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.844 0.747 . . . . 0.0 110.676 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 74.2 mtm -58.1 -48.33 80.5 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.561 0.618 . . . . 0.0 111.93 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.4 mmm -63.2 -40.11 96.56 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.796 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.21 94.01 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.836 1.254 . . . . 0.0 112.918 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -63.38 -33.66 76.02 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 112.68 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.87 -21.45 65.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 mmt -80.31 -8.25 59.4 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -173.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -152.19 148.9 28.15 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -168.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -162.09 35.8 0.12 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.012 1.725 . . . . 0.0 111.971 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -152.39 166.14 32.81 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.476 1.51 . . . . 0.0 111.651 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.49 170.68 9.31 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.367 1.467 . . . . 0.0 112.685 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.8 m -84.7 142.93 29.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.649 1.18 . . . . 0.0 112.974 -174.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -56.42 -34.84 67.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.223 1.409 . . . . 0.0 113.301 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.58 -33.31 68.96 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.275 0.943 . . . . 0.0 112.283 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -71.6 -42.35 67.82 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.427 1.091 . . . . 0.0 110.516 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.34 -43.4 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 110.703 171.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.21 -46.49 88.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.124 0.969 . . . . 0.0 112.148 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.35 -33.12 75.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.708 0.803 . . . . 0.0 112.878 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.19 80.84 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.354 -0.841 . . . . 0.0 112.514 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' CE2' HG22 ' A' ' 142' ' ' VAL . 79.5 m-85 -69.45 -39.28 77.89 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.915 0.78 . . . . 0.0 112.305 171.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.73 -28.13 69.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.042 0.937 . . . . 0.0 112.723 178.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.87 -39.27 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.006 0.922 . . . . 0.0 112.121 168.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -83.68 -20.34 33.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 73.18 2.04 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.783 1.278 . . . . 0.0 111.237 168.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -64.85 -19.27 65.78 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.403 1.881 . . . . 0.0 115.441 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -94.46 -18.25 21.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.174 1.39 . . . . 0.0 113.429 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.71 22.68 68.95 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.332 0.968 . . . . 0.0 113.33 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -78.52 -21.64 48.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.956 1.302 . . . . 0.0 114.346 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.05 7.47 77.36 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.988 1.28 . . . . 0.0 114.047 -171.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -140.71 157.04 46.0 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.114 1.766 . . . . 0.0 111.924 -176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -133.4 155.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.642 1.577 . . . . 0.0 109.874 174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.7 m -77.21 143.33 39.08 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.894 -1.129 . . . . 0.0 111.587 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.9 78.02 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.072 -1.017 . . . . 0.0 112.802 178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.74 73.04 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.549 0.74 . . . . 0.0 112.829 172.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -71.28 -44.86 64.41 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.369 1.068 . . . . 0.0 110.54 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.46 -33.62 75.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.079 0.952 . . . . 0.0 112.599 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -63.5 -51.54 65.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.382 0.673 . . . . 0.0 110.722 168.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -66.26 -45.19 81.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.874 0.87 . . . . 0.0 112.914 -175.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.97 -17.22 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.248 -0.907 . . . . 0.0 112.691 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.7 mmt -95.63 -18.75 20.29 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.215 1.406 . . . . 0.0 114.264 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -108.47 -20.51 13.09 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.951 1.3 . . . . 0.0 113.183 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -94.88 -38.11 10.87 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.684 1.194 . . . . 0.0 113.072 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.23 154.81 27.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.149 1.38 . . . . 0.0 113.162 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.88 -144.08 33.22 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.835 1.207 . . . . 0.0 113.441 171.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.7 117.1 23.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.776 1.23 . . . . 0.0 108.433 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -65.04 126.65 28.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.323 -0.861 . . . . 0.0 112.639 -169.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -81.72 146.31 30.05 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.258 1.023 . . . . 0.0 110.382 170.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.1 p -71.26 168.13 17.96 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 122.493 1.139 . . . . 0.0 111.795 175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.77 -31.88 62.98 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.573 -1.649 . . . . 0.0 112.244 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.82 -44.76 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.151 0.981 . . . . 0.0 111.874 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.27 -47.38 76.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.538 0.735 . . . . 0.0 111.721 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.91 -33.06 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 118.438 0.563 . . . . 0.0 111.856 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -62.94 -48.4 79.05 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.827 0.74 . . . . 0.0 110.708 170.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -61.29 -41.78 97.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.177 0.591 . . . . 0.0 112.096 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.4 ttm -59.52 -46.34 89.12 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.59 -0.693 . . . . 0.0 112.3 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.3 mm -72.68 -40.92 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.302 0.641 . . . . 0.0 110.955 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.4 ttm-85 -56.49 -35.9 68.5 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.832 1.253 . . . . 0.0 112.771 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -76.02 -11.69 59.99 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.96 -39.11 7.49 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.864 1.265 . . . . 0.0 113.275 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.36 -15.39 61.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.249 1.819 . . . . 0.0 114.66 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.31 -5.73 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -154.86 147.86 24.66 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.757 1.623 . . . . 0.0 111.879 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.52 -105.05 2.79 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.375 0.988 . . . . 0.0 112.912 176.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -159.05 176.61 12.07 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.291 1.836 . . . . 0.0 111.302 -165.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -69.13 -6.01 51.01 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.28 0.943 . . . . 0.0 114.646 172.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.55 119.34 25.08 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.578 1.189 . . . . 0.0 109.884 162.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.4 t -86.87 123.57 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 125.815 1.646 . . . . 0.0 109.245 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -78.79 89.74 4.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.94 0.876 . . . . 0.0 109.124 165.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 142' ' ' VAL . 39.7 p90 -66.52 -28.29 68.44 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -176.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.05 -41.2 95.39 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.731 0.813 . . . . 0.0 112.009 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -70.14 -38.98 75.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.722 0.409 . . . . 0.0 111.905 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.13 -35.89 76.28 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.609 -0.71 . . . . 0.0 112.784 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 138' ' ' TYR . 45.5 t -53.33 -61.55 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.803 0.841 . . . . 0.0 110.312 174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.41 -31.21 71.83 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.9 mtm -62.27 -32.17 72.85 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.012 0.824 . . . . 0.0 113.148 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -93.34 -32.41 14.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.1 p -88.58 -31.44 18.62 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.991 1.268 . . . . 0.0 114.137 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -103.77 165.23 11.17 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.326 1.05 . . . . 0.0 113.052 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt . . . . . 0 C--O 1.255 1.372 0 C-N-CA 125.705 1.602 . . . . 0.0 112.031 176.732 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 CA-C-O 119.238 -0.756 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.45 151.08 53.03 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.0 3.133 . . . . 0.0 112.014 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -98.62 160.57 20.37 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.002 1.287 . . . . 0.0 112.909 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 30.8 m -64.36 -37.62 88.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.235 1.014 . . . . 0.0 110.854 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.46 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.139 1.776 . . . . 0.0 111.752 170.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.01 -43.98 81.51 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.338 -0.852 . . . . 0.0 111.881 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 30.7 m -71.33 -32.43 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 O-C-N 121.916 -0.49 . . . . 0.0 112.275 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 74.3 m -64.98 -46.84 79.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.179 0.9 . . . . 0.0 111.725 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -53.55 -44.91 69.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.586 0.754 . . . . 0.0 111.854 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.8 mtm -60.29 -28.13 67.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 74.6 t -75.18 -39.41 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.181 1.355 . . . . 0.0 111.24 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.88 -41.83 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 121.534 -0.729 . . . . 0.0 110.593 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -66.34 -36.41 82.85 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.5 1.12 . . . . 0.0 111.58 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -62.38 -43.02 99.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.244 1.017 . . . . 0.0 111.771 172.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.61 86.6 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.948 0.899 . . . . 0.0 112.545 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -67.45 -44.68 78.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.839 0.456 . . . . 0.0 111.65 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -70.02 -26.54 64.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -62.89 -55.21 28.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.478 0.711 . . . . 0.0 110.495 163.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.7 t60 -58.17 -44.06 87.76 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.869 1.268 . . . . 0.0 114.341 -174.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.37 -29.71 64.26 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.95 -40.79 87.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.494 0.718 . . . . 0.0 111.436 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -69.15 -39.43 78.83 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.202 0.601 . . . . 0.0 111.16 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 38.8 ttm-85 -61.97 -45.88 91.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.754 0.822 . . . . 0.0 112.765 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 66.2 m -92.1 -9.09 43.88 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -174.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 64.07 -3.27 0.48 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.201 2.6 . . . . 0.0 114.553 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 47.6 tttp 74.63 141.02 0.07 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 129.222 3.009 . . . . 0.0 112.14 -171.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 36.5 m80 -76.76 -14.33 59.94 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -120.01 146.18 46.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.968 1.707 . . . . 0.0 111.108 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 48.9 m -94.95 0.3 54.55 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 80.9 t80 -70.32 -33.19 71.22 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 40.0 tp . . . . . 0 C--O 1.253 1.242 0 C-N-CA 124.811 1.244 . . . . 0.0 112.439 -179.626 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.933 0.397 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -101.88 -1.62 31.72 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.768 1.227 . . . . 0.0 113.835 -170.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -123.97 143.16 50.57 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.48 1.512 . . . . 0.0 111.068 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -57.24 149.76 19.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -87.11 157.82 19.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.579 1.552 . . . . 0.0 111.814 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -58.49 -37.92 76.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.49 0.716 . . . . 0.0 112.463 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.38 -24.09 63.82 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -84.38 -42.46 15.68 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.908 0.776 . . . . 0.0 110.777 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -56.76 -40.02 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.692 1.197 . . . . 0.0 111.66 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.68 70.96 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.587 1.155 . . . . 0.0 113.654 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.63 -40.15 19.37 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.959 0.904 . . . . 0.0 111.331 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -65.87 -33.64 76.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.318 0.647 . . . . 0.0 112.306 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.4 tppt? -54.84 -44.08 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.044 0.938 . . . . 0.0 112.571 169.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.98 -31.74 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.936 1.294 . . . . 0.0 112.471 -174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.4 -39.51 24.86 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.487 -0.758 . . . . 0.0 112.507 171.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -65.71 -38.17 88.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.345 1.058 . . . . 0.0 112.581 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -66.26 -20.88 66.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.88 -24.65 52.57 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.063 -1.023 . . . . 0.0 112.465 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -92.73 -11.34 34.18 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.347 1.459 . . . . 0.0 112.911 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.24 66.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.91 1.684 . . . . 0.0 111.498 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.29 -28.44 67.18 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.461 1.904 . . . . 0.0 113.309 -177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.15 -22.7 48.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.324 1.05 . . . . 0.0 113.118 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.97 -0.22 89.51 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.489 1.519 . . . . 0.0 115.011 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.74 -9.3 56.21 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.157 1.383 . . . . 0.0 113.608 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.28 20.24 25.88 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.13 1.348 . . . . 0.0 113.458 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.2 p -120.54 150.84 40.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.756 1.622 . . . . 0.0 111.812 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.6 pt -122.93 163.24 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.923 1.289 . . . . 0.0 110.617 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -78.5 166.36 22.68 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.967 0.889 . . . . 0.0 112.118 172.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -64.75 -28.33 69.51 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.607 1.163 . . . . 0.0 112.329 170.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -77.78 -35.45 51.56 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 -17.9 60.76 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.239 0.927 . . . . 0.0 112.862 174.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.34 -49.58 73.96 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.503 1.121 . . . . 0.0 111.13 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.46 -28.05 72.59 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.734 0.683 . . . . 0.0 113.253 175.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -73.58 -50.16 22.64 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.564 1.146 . . . . 0.0 110.495 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.7 -33.18 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 119.584 1.083 . . . . 0.0 112.214 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -55.84 -55.02 37.45 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.031 0.832 . . . . 0.0 111.128 169.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.95 -24.24 59.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.707 0.803 . . . . 0.0 112.97 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -69.68 -36.11 75.69 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.272 1.029 . . . . 0.0 111.94 171.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.97 -25.52 43.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.883 1.273 . . . . 0.0 113.006 173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.65 17.68 10.95 Favored Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.28 1.419 . . . . 0.0 115.195 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.029 1.415 . . . . 0.0 109.033 166.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -122.99 69.63 38.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.462 1.105 . . . . 0.0 111.466 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -71.62 159.56 50.72 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.841 2.361 . . . . 0.0 110.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -69.67 164.42 23.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.692 . . . . 0.0 110.398 165.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.46 -37.99 73.74 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.507 -0.746 . . . . 0.0 111.683 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -43.91 71.67 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.086 0.954 . . . . 0.0 112.764 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.19 -37.12 77.98 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.241 0.928 . . . . 0.0 111.932 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.07 -49.28 76.57 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 110.76 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -37.9 83.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.478 0.711 . . . . 0.0 111.706 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.02 -36.94 83.22 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.0 mtm -68.2 -38.05 81.56 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.249 0.931 . . . . 0.0 111.015 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.43 -53.62 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.215 0.606 . . . . 0.0 110.164 172.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -57.16 -25.84 59.59 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.259 1.024 . . . . 0.0 113.614 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -69.57 -26.9 64.7 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.863 0.865 . . . . 0.0 112.449 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.2 m -114.06 -30.05 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.37 27.46 6.22 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.803 1.641 . . . . 0.0 112.651 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.17 -26.16 62.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.915 1.286 . . . . 0.0 113.547 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -82.79 -8.91 59.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.662 1.585 . . . . 0.0 113.56 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.55 54.6 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.666 1.127 . . . . 0.0 115.79 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.38 -24.92 59.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.78 1.29 . . . . 0.0 114.149 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.47 9.55 84.68 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.799 1.19 . . . . 0.0 114.225 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.5 p -141.25 158.64 43.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.243 1.817 . . . . 0.0 112.203 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.33 126.54 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 126.555 1.942 . . . . 0.0 108.528 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -87.38 155.34 20.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.443 1.497 . . . . 0.0 111.465 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 30.4 t80 -49.78 -48.54 77.07 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.47 -24.22 42.81 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.181 1.921 . . . . 0.0 113.65 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.74 -42.96 60.41 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.492 1.042 . . . . 0.0 110.621 175.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.05 -41.9 93.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.917 1.287 . . . . 0.0 111.843 170.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.15 -33.22 75.28 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.295 -0.878 . . . . 0.0 112.491 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 m -67.3 -46.51 73.35 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.259 1.024 . . . . 0.0 111.236 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.17 -35.46 80.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.358 0.981 . . . . 0.0 112.197 174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 84.8 mmm -69.61 -41.78 75.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.02 0.928 . . . . 0.0 112.683 176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.23 66.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.515 1.526 . . . . 0.0 111.288 173.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.89 -21.07 60.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.731 1.612 . . . . 0.0 114.103 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.86 -17.59 46.8 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.738 1.215 . . . . 0.0 113.55 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.4 mmt -78.5 152.94 31.73 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.245 1.018 . . . . 0.0 111.979 177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.36 141.2 32.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.765 1.226 . . . . 0.0 112.029 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -97.0 -17.21 20.19 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.032 1.333 . . . . 0.0 113.203 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 t -83.25 -178.89 7.24 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.637 1.575 . . . . 0.0 113.053 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -65.91 149.89 49.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.021 1.728 . . . . 0.0 113.435 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.2 m -79.75 158.98 26.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.408 1.083 . . . . 0.0 113.432 -176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.55 -39.42 70.58 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.639 1.176 . . . . 0.0 112.46 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.65 -34.21 77.37 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.353 0.661 . . . . 0.0 112.693 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.26 -40.59 70.88 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.231 0.923 . . . . 0.0 110.462 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.83 -43.37 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.627 0.771 . . . . 0.0 110.052 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -66.33 -42.47 88.13 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.88 -35.43 78.31 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.054 0.942 . . . . 0.0 111.756 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.21 91.31 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.824 0.738 . . . . 0.0 111.123 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -63.77 -38.26 90.44 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.733 -0.604 . . . . 0.0 112.439 170.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -69.77 -26.19 64.17 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.88 -34.71 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.194 0.998 . . . . 0.0 111.668 167.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -87.29 -15.94 36.59 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -66.65 124.47 22.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.067 0.947 . . . . 0.0 109.923 165.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -80.35 -8.22 59.41 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -134.21 -21.88 1.81 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.949 1.3 . . . . 0.0 113.856 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.17 22.64 51.44 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 124.867 1.222 . . . . 0.0 112.504 -168.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -73.13 -22.3 60.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.765 1.626 . . . . 0.0 114.539 -173.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.09 17.13 33.09 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.24 1.4 . . . . 0.0 113.254 -173.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -143.05 142.88 31.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.362 1.465 . . . . 0.0 112.857 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.11 156.29 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.22 1.408 . . . . 0.0 110.728 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -78.29 138.75 38.76 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.258 -0.901 . . . . 0.0 111.419 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.65 -33.14 72.36 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.148 -0.97 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.99 82.12 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.178 -0.951 . . . . 0.0 112.722 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 -45.49 68.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.588 0.755 . . . . 0.0 110.496 175.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.82 -34.19 72.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.538 1.135 . . . . 0.0 112.568 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -69.15 -46.19 68.2 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.829 0.852 . . . . 0.0 111.19 171.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -71.06 -43.57 67.53 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.147 0.979 . . . . 0.0 113.308 -174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.18 -44.04 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 118.928 0.785 . . . . 0.0 111.588 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.2 mmt -67.95 -26.61 66.04 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.309 1.043 . . . . 0.0 113.663 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.4 p -95.66 -3.56 45.94 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.58 -19.92 0.84 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.7 mt -107.26 152.52 24.01 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 120.054 1.297 . . . . 0.0 111.567 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.5 -145.57 49.98 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 123.806 0.717 . . . . 0.0 111.712 -172.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.62 135.22 36.52 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 161.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.13 129.86 40.55 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.097 -1.002 . . . . 0.0 112.716 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.9 tp -78.93 149.05 32.45 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 110.991 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 m -74.92 153.53 38.56 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.467 1.107 . . . . 0.0 111.398 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.48 -42.89 79.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.59 1.156 . . . . 0.0 111.748 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.64 -11.99 61.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.117 1.367 . . . . 0.0 113.463 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -96.49 -53.97 3.41 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.446 1.498 . . . . 0.0 110.275 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -65.79 -30.96 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.655 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.4 -29.42 67.16 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.991 -1.068 . . . . 0.0 112.191 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -76.34 -38.69 55.56 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.508 0.723 . . . . 0.0 111.438 170.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttm -55.14 -48.16 74.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.081 0.552 . . . . 0.0 110.781 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.35 -39.34 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.017 175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -56.4 -41.56 76.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.669 1.122 . . . . 0.0 112.356 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -82.05 -19.7 39.78 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.18 -34.8 12.78 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -77.98 -23.41 48.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.7 1.2 . . . . 0.0 114.011 -172.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -60.94 139.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.308 1.043 . . . . 0.0 112.961 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 t70 70.48 -24.71 0.16 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.564 2.746 . . . . 0.0 114.678 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.09 160.71 38.87 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.426 1.489 . . . . 0.0 113.87 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.02 38.35 0.88 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.239 1.816 . . . . 0.0 112.313 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.93 -9.62 65.39 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.045 1.307 . . . . 0.0 114.191 -171.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -100.49 136.96 39.56 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.966 1.306 . . . . 0.0 109.712 171.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -99.31 121.74 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 126.22 1.808 . . . . 0.0 109.181 -174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -77.78 78.15 4.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.351 1.06 . . . . 0.0 110.382 165.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -58.39 -21.27 49.78 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -56.58 -40.37 75.1 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.117 0.967 . . . . 0.0 111.833 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -75.24 -33.8 61.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.352 1.061 . . . . 0.0 111.153 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -64.78 -39.71 94.06 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 111.937 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.13 -45.22 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.332 0.653 . . . . 0.0 110.838 171.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -62.96 -40.98 99.32 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.343 0.52 . . . . 0.0 111.837 177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.5 mtm -62.62 -35.37 79.37 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.314 -0.867 . . . . 0.0 112.483 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.0 mtm -71.05 -38.53 72.53 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.7 p -91.17 -15.21 29.71 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.4 163.01 11.44 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.534 1.134 . . . . 0.0 113.993 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 127.139 2.175 . . . . 0.0 112.253 -175.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 CA-C-O 118.647 -1.085 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.86 171.24 18.65 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.826 3.017 . . . . 0.0 112.978 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -79.03 -78.36 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.612 1.101 . . . . 0.0 112.805 -172.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 24.7 m -80.26 -39.56 28.68 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.287 0.635 . . . . 0.0 111.365 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -57.73 -38.23 74.95 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.598 1.959 . . . . 0.0 112.381 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.61 -41.96 78.8 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.8 -0.562 . . . . 0.0 111.975 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 27.8 m -83.81 -27.16 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.53 0.732 . . . . 0.0 112.81 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 64.6 m -61.95 -41.01 97.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.09 -1.006 . . . . 0.0 111.425 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.78 70.68 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.8 -40.1 76.18 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.805 0.842 . . . . 0.0 112.792 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 77.3 t -70.11 -36.12 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.955 0.798 . . . . 0.0 111.487 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.27 -50.96 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.504 0.593 . . . . 0.0 111.576 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.66 -27.27 63.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -60.55 -43.06 97.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.047 0.839 . . . . 0.0 111.485 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.34 75.07 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.543 0.737 . . . . 0.0 111.541 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.97 -44.42 92.79 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.65 -39.68 88.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.641 0.776 . . . . 0.0 112.402 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -64.88 -34.64 78.88 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.558 0.617 . . . . 0.0 112.24 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.41 -47.85 66.19 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.63 0.772 . . . . 0.0 112.72 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.64 -31.69 70.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.197 0.908 . . . . 0.0 113.053 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 41.8 tp -60.39 -27.48 67.46 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.321 0.649 . . . . 0.0 112.436 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -76.11 -22.16 55.85 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.271 0.942 . . . . 0.0 112.605 175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -83.65 -38.91 20.92 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.101 0.96 . . . . 0.0 112.039 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 60.9 m -83.68 -31.4 26.14 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 66.13 -57.04 0.36 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 130.274 3.43 . . . . 0.0 112.763 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -82.77 154.79 24.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.336 1.455 . . . . 0.0 111.898 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 35.1 p80 -80.38 164.17 23.31 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.091 0.957 . . . . 0.0 112.568 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -81.95 173.64 12.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.423 1.089 . . . . 0.0 112.255 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 52.7 m -129.23 151.79 49.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.643 1.177 . . . . 0.0 111.507 172.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -90.24 -18.66 25.27 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -168.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.372 1.469 . . . . 0.0 114.183 -179.45 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.006 0.432 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -96.04 16.33 18.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.004 1.722 . . . . 0.0 112.902 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -155.5 137.9 14.91 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.225 1.81 . . . . 0.0 109.722 -172.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tp -78.02 148.13 34.5 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.599 1.159 . . . . 0.0 111.98 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -104.43 159.17 15.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.203 1.401 . . . . 0.0 112.063 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.46 -32.23 73.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.332 0.653 . . . . 0.0 112.735 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.18 -27.03 64.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 112.747 175.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.74 -44.17 34.24 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.582 -0.698 . . . . 0.0 109.885 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.9 mt -56.48 -43.76 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.101 0.961 . . . . 0.0 111.023 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -76.7 -48.01 20.19 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.034 1.334 . . . . 0.0 110.958 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -66.47 -26.08 67.02 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.56 -39.56 84.43 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.609 0.764 . . . . 0.0 112.298 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.75 -34.39 73.75 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.29 -43.03 61.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.455 0.571 . . . . 0.0 112.321 173.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.92 -40.56 95.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.417 1.087 . . . . 0.0 111.768 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 m -70.12 -15.65 63.0 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.35 -29.13 62.45 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.667 1.121 . . . . 0.0 112.355 172.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -87.84 -13.42 42.18 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.501 1.521 . . . . 0.0 113.196 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -76.38 76.79 3.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.883 1.673 . . . . 0.0 110.926 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -73.44 -23.35 60.1 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.153 1.381 . . . . 0.0 113.508 -176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.4 -19.56 27.92 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.011 1.325 . . . . 0.0 113.707 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.91 11.65 81.08 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.939 1.257 . . . . 0.0 114.536 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.13 -4.67 51.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.571 1.548 . . . . 0.0 113.665 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.63 21.71 46.37 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.901 1.239 . . . . 0.0 114.092 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -126.45 159.33 33.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.431 1.492 . . . . 0.0 111.43 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.13 160.22 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.708 1.203 . . . . 0.0 110.649 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -70.92 149.14 47.02 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 166.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.7 p -56.26 -31.86 63.98 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.983 0.913 . . . . 0.0 112.189 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -66.75 -23.43 66.09 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.725 1.21 . . . . 0.0 114.166 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.86 -10.05 55.99 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.004 0.922 . . . . 0.0 113.015 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.73 -48.33 82.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.69 1.132 . . . . 0.0 111.131 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.8 -26.6 67.21 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-O 119.404 -0.665 . . . . 0.0 112.255 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -75.56 -48.75 21.04 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.945 1.298 . . . . 0.0 111.15 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.27 -34.76 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-N 120.15 1.341 . . . . 0.0 111.464 -174.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.9 mtp -64.58 -40.3 95.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.579 0.627 . . . . 0.0 111.729 173.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -66.49 -39.83 88.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.311 1.045 . . . . 0.0 112.59 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -64.66 -26.23 68.3 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.114 -0.991 . . . . 0.0 113.22 172.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -89.0 11.03 19.43 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.732 1.613 . . . . 0.0 113.495 171.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.17 9.91 86.61 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.648 1.118 . . . . 0.0 115.219 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -88.77 148.24 24.04 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.327 1.063 . . . . 0.0 109.915 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -131.09 66.18 78.37 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.839 0.856 . . . . 0.0 112.573 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.26 151.52 71.92 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.816 2.344 . . . . 0.0 110.807 170.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.8 p -72.76 168.84 17.96 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.826 0.851 . . . . 0.0 110.55 166.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.87 -35.27 72.71 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.915 -0.49 . . . . 0.0 111.293 170.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.57 66.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.156 0.982 . . . . 0.0 112.246 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -60.41 -42.32 95.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.609 0.764 . . . . 0.0 111.567 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.61 -47.24 73.28 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.866 0.867 . . . . 0.0 111.451 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.93 -35.68 80.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.46 0.573 . . . . 0.0 112.247 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -64.56 -34.92 79.37 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.291 1.036 . . . . 0.0 113.172 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.2 mtm -77.59 -36.85 51.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.428 0.558 . . . . 0.0 111.313 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.99 -61.02 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.233 1.013 . . . . 0.0 110.887 177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.28 -19.11 65.19 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.59 1.086 . . . . 0.0 113.686 -172.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -68.47 -36.83 79.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.597 1.159 . . . . 0.0 112.557 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.1 -30.29 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.498 0.719 . . . . 0.0 112.644 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -90.51 32.99 0.92 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.601 1.561 . . . . 0.0 112.39 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.67 67.51 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.805 1.242 . . . . 0.0 113.475 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -82.86 -11.2 58.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.763 1.225 . . . . 0.0 113.698 173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.68 78.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.909 1.242 . . . . 0.0 115.323 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -71.39 -20.49 62.13 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.931 1.366 . . . . 0.0 114.25 -177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.97 15.46 72.52 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.115 1.341 . . . . 0.0 113.765 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 p -134.85 159.38 41.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.389 1.476 . . . . 0.0 112.746 -173.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 mt -131.67 132.6 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.44 1.896 . . . . 0.0 108.948 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -93.06 153.85 18.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.426 1.49 . . . . 0.0 111.205 174.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.41 -44.19 98.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -171.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.07 -32.31 91.67 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.044 2.496 . . . . 0.0 114.273 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.06 -41.43 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.12 0.968 . . . . 0.0 110.745 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -62.7 -42.65 99.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.336 1.055 . . . . 0.0 112.054 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.81 -27.88 68.58 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.184 -0.947 . . . . 0.0 112.999 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -64.81 -37.67 88.38 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.993 0.917 . . . . 0.0 110.902 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.8 mtt -60.71 -48.19 82.89 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.361 0.665 . . . . 0.0 110.985 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.72 -48.04 78.67 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.443 1.097 . . . . 0.0 111.925 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.72 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.247 1.019 . . . . 0.0 113.256 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -68.99 -43.59 74.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.126 1.371 . . . . 0.0 113.033 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -87.92 -5.57 58.49 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mmt -65.4 -17.44 64.54 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -73.19 113.33 10.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.307 -0.871 . . . . 0.0 112.164 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -149.95 -0.33 0.45 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.941 1.296 . . . . 0.0 114.142 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -81.18 153.73 27.06 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.961 1.304 . . . . 0.0 111.959 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -78.23 162.42 26.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.1 1.36 . . . . 0.0 112.462 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 t -60.42 126.79 28.8 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -165.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.59 -37.07 84.78 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.724 0.809 . . . . 0.0 111.494 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.56 -35.9 82.2 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.724 0.81 . . . . 0.0 112.158 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.14 -38.61 88.56 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.702 0.801 . . . . 0.0 111.033 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mt -72.19 -38.99 64.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.419 1.088 . . . . 0.0 110.604 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -64.76 -45.77 84.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.81 -25.23 64.57 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.737 0.699 . . . . 0.0 112.376 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.98 99.19 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.582 -0.699 . . . . 0.0 110.901 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -64.88 -36.77 85.42 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 170.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -65.23 -30.49 71.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.807 0.843 . . . . 0.0 113.197 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.61 -33.8 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-N 119.456 1.025 . . . . 0.0 111.774 170.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -97.79 2.49 49.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.448 1.499 . . . . 0.0 114.126 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -76.21 133.26 40.18 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.425 1.09 . . . . 0.0 110.479 173.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -16.77 64.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -145.23 -19.67 0.49 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.531 1.532 . . . . 0.0 114.026 -170.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.43 23.6 36.41 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.767 1.175 . . . . 0.0 112.063 -166.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.57 -19.82 57.48 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.237 1.415 . . . . 0.0 114.402 -170.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.27 16.88 31.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.855 1.693 . . . . 0.0 113.714 -174.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -145.36 141.37 28.43 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.463 1.505 . . . . 0.0 112.133 -172.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 pt -132.84 153.67 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.266 1.426 . . . . 0.0 110.745 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -78.22 136.21 37.75 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.004 -1.06 . . . . 0.0 111.173 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.93 74.53 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.2 -0.937 . . . . 0.0 113.218 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.6 83.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.16 0.984 . . . . 0.0 112.702 173.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -68.18 -44.28 76.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.812 0.845 . . . . 0.0 110.122 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -56.31 -51.95 66.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.411 1.084 . . . . 0.0 110.511 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -54.94 -44.96 74.77 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.371 1.068 . . . . 0.0 111.896 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -66.73 -43.22 84.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.945 0.898 . . . . 0.0 113.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.0 -43.71 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.978 . . . . 0.0 110.433 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.0 mmt -74.16 -16.94 60.98 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.6 p -108.4 -16.59 14.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.933 1.293 . . . . 0.0 113.531 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.07 -49.35 3.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.422 1.089 . . . . 0.0 112.961 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.44 143.07 27.08 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.163 1.385 . . . . 0.0 112.407 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 67.98 -157.52 52.32 Favored Glycine 0 N--CA 1.469 0.891 0 C-N-CA 125.028 1.299 . . . . 0.0 113.526 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.19 147.93 50.6 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.309 -0.524 . . . . 0.0 109.93 161.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -94.2 149.77 20.93 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -163.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 tp -93.97 134.06 36.77 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.461 1.504 . . . . 0.0 109.435 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.9 m -70.52 155.95 40.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.824 1.249 . . . . 0.0 110.468 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -53.11 -41.65 65.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.711 1.204 . . . . 0.0 112.961 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.41 -14.13 60.44 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.655 1.182 . . . . 0.0 113.147 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -94.94 -51.7 4.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.547 1.539 . . . . 0.0 110.717 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.05 -32.54 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.392 -0.817 . . . . 0.0 112.579 -173.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.12 -47.1 72.16 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.819 0.736 . . . . 0.0 110.682 174.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.78 -37.14 80.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.129 0.972 . . . . 0.0 112.49 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.4 ttm -57.48 -29.43 64.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.895 0.878 . . . . 0.0 112.46 172.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.59 -39.68 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.482 0.713 . . . . 0.0 111.606 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -59.15 -31.46 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.176 1.353 . . . . 0.0 112.626 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -83.68 -6.79 59.53 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.183 0.993 . . . . 0.0 113.625 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.93 -35.07 7.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.887 1.675 . . . . 0.0 113.303 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -65.18 -15.06 62.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.522 1.929 . . . . 0.0 113.812 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.7 pt -62.45 -11.72 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.215 1.806 . . . . 0.0 114.849 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.01 -15.43 62.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.245 1.018 . . . . 0.0 113.229 172.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.48 4.34 52.83 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.559 1.383 . . . . 0.0 116.559 168.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -158.36 178.56 10.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.376 1.47 . . . . 0.0 112.425 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.11 -10.15 81.01 Favored Glycine 0 CA--C 1.538 1.522 0 CA-C-O 118.371 -1.239 . . . . 0.0 116.092 -171.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -90.28 126.52 35.87 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.698 1.749 . . . . 0.0 110.644 170.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.94 123.24 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 125.946 1.698 . . . . 0.0 108.734 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -78.03 85.03 4.26 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 164.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -64.93 -23.13 67.13 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -170.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.42 -35.35 75.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.557 1.143 . . . . 0.0 112.314 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -81.17 -40.3 24.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.45 0.7 . . . . 0.0 111.028 170.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.7 -41.51 86.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.85 0.75 . . . . 0.0 112.874 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.94 -51.77 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.307 0.643 . . . . 0.0 110.79 172.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -71.78 -28.29 63.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.6 -34.29 76.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -91.96 -25.57 18.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 51.5 p -75.41 -23.61 57.03 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.449 1.477 . . . . 0.0 112.46 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.36 163.25 28.29 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.446 1.099 . . . . 0.0 113.371 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.1 pttt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.749 2.02 . . . . 0.0 113.493 173.133 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 CA-C-O 119.103 -0.832 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -60.31 160.38 23.51 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.076 3.851 . . . . 0.0 113.666 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 96.3 -159.12 21.83 Favored Glycine 0 N--CA 1.471 0.982 0 C-N-CA 124.19 0.9 . . . . 0.0 113.345 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 57.5 m -122.01 -28.16 4.47 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.32 1.448 . . . . 0.0 112.77 -176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.55 -31.95 66.61 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 0.0 113.662 -164.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.42 -27.49 34.7 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.998 -1.064 . . . . 0.0 113.361 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 20.4 m -92.74 -34.01 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.056 0.844 . . . . 0.0 111.941 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 13.9 p -63.27 -38.3 90.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.56 -0.712 . . . . 0.0 111.681 171.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.52 67.94 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.556 0.742 . . . . 0.0 112.806 171.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.0 mtm -79.78 -29.72 40.45 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 56.7 t -65.38 -39.36 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.296 0.953 . . . . 0.0 110.973 175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.01 -41.4 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 121.814 -0.553 . . . . 0.0 110.89 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.99 -37.49 86.07 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.493 0.717 . . . . 0.0 111.878 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -57.5 -46.54 83.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.202 1.001 . . . . 0.0 112.178 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.36 -48.53 77.56 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.021 . . . . 0.0 111.865 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.48 -39.22 88.65 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.457 0.703 . . . . 0.0 112.752 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.7 -35.57 75.19 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.267 -0.896 . . . . 0.0 112.441 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.21 -33.52 75.95 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.282 0.947 . . . . 0.0 111.964 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 83.1 t60 -66.07 -49.59 67.07 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.34 0.973 . . . . 0.0 112.249 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.81 -18.32 64.0 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.66 -29.54 68.12 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.489 1.04 . . . . 0.0 112.715 173.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.43 -30.81 29.85 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.99 0.814 . . . . 0.0 111.9 174.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -78.56 -37.89 41.61 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.522 1.129 . . . . 0.0 112.777 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.1 m -126.64 -0.15 6.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 -167.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? 68.97 -19.85 0.16 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 128.76 2.824 . . . . 0.0 115.556 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 12.0 mtmm 156.56 -38.43 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.315 1 C-N-CA 132.707 4.403 . . . . 0.0 111.24 177.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -169.03 148.89 4.17 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.855 2.462 . . . . 0.0 109.739 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -63.87 151.67 41.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.793 0.837 . . . . 0.0 112.916 176.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 76.7 p -164.53 -169.29 1.72 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.358 1.463 . . . . 0.0 111.737 -174.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -74.03 -11.16 60.25 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.562 1.145 . . . . 0.0 113.921 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.874 1.67 . . . . 0.0 111.7 -178.464 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.576 0.227 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -111.66 9.93 21.03 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.774 1.23 . . . . 0.0 112.73 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -170.53 158.99 6.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.629 1.972 . . . . 0.0 109.212 -170.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.27 157.87 36.24 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.347 -0.846 . . . . 0.0 111.663 162.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -133.17 165.49 24.65 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.491 1.916 . . . . 0.0 110.3 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.44 -38.82 69.53 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.193 0.997 . . . . 0.0 112.718 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.18 -22.85 61.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.427 1.091 . . . . 0.0 113.472 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -81.52 -45.23 16.23 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.506 -0.746 . . . . 0.0 110.068 170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.88 -38.81 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.226 1.411 . . . . 0.0 111.389 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.96 68.54 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.361 1.064 . . . . 0.0 113.599 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.94 -42.2 11.33 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.963 0.905 . . . . 0.0 111.623 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.92 -29.39 70.19 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -61.06 -32.74 72.37 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 173.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.66 -23.65 58.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.781 0.833 . . . . 0.0 112.934 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.83 -36.2 21.77 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.47 0.577 . . . . 0.0 111.633 169.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -69.19 -38.07 78.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.73 0.812 . . . . 0.0 112.38 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -63.91 -24.93 67.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.78 -20.5 53.21 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -96.37 -21.5 17.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.016 1.326 . . . . 0.0 111.961 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.33 59.81 1.07 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.458 1.903 . . . . 0.0 111.248 167.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.37 -21.44 62.87 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.447 1.099 . . . . 0.0 113.48 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.67 -21.91 47.55 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.13 1.372 . . . . 0.0 112.832 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 5.35 89.7 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.801 1.667 . . . . 0.0 115.369 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -84.92 -10.74 56.78 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.988 1.315 . . . . 0.0 113.744 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 23.18 17.84 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.117 1.341 . . . . 0.0 113.499 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -129.12 149.97 50.7 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.731 1.612 . . . . 0.0 112.144 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 pt -117.13 160.31 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.726 1.211 . . . . 0.0 110.541 165.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 152.39 41.27 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -56.56 -30.71 63.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.227 1.011 . . . . 0.0 111.949 169.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.72 -34.81 77.6 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 113.305 173.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 -18.72 47.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.536 1.134 . . . . 0.0 112.562 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.75 -43.11 80.42 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.196 -0.94 . . . . 0.0 111.438 170.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.66 -15.3 57.35 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 118.779 -1.012 . . . . 0.0 113.675 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -95.94 -38.84 10.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.299 1.44 . . . . 0.0 111.605 172.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.45 -32.04 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 120.6 1.545 . . . . 0.0 112.074 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.4 mmm -63.34 -39.03 93.41 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.527 0.603 . . . . 0.0 111.53 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -66.98 -40.42 87.42 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.642 0.777 . . . . 0.0 112.549 172.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -65.26 -27.77 68.88 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.203 1.001 . . . . 0.0 112.809 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.7 mt -89.1 2.52 53.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.552 1.541 . . . . 0.0 112.801 173.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.59 9.43 75.25 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.166 1.365 . . . . 0.0 115.446 171.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.72 159.67 17.69 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.937 1.368 . . . . 0.0 111.766 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -134.76 69.94 71.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.119 1.368 . . . . 0.0 111.836 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -71.46 141.19 38.02 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.088 1.859 . . . . 0.0 109.538 168.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 m -75.48 161.96 28.74 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 165.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -32.01 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.25 74.62 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.076 -1.015 . . . . 0.0 113.486 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.95 -38.27 79.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.243 0.929 . . . . 0.0 111.098 174.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 tp -64.92 -45.34 86.26 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.953 0.901 . . . . 0.0 110.782 176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.27 -41.01 96.21 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.335 0.654 . . . . 0.0 111.67 174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.25 -41.33 98.34 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 ptp -71.32 -32.87 69.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.894 0.77 . . . . 0.0 111.85 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.46 -53.89 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.226 1.01 . . . . 0.0 110.287 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -52.43 -32.92 41.62 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.546 1.066 . . . . 0.0 112.988 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -72.16 -18.02 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.322 1.049 . . . . 0.0 113.564 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.68 -27.47 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -96.54 24.58 5.79 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.911 1.684 . . . . 0.0 112.523 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.86 65.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.339 1.455 . . . . 0.0 113.892 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -82.72 -9.35 59.4 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.816 1.646 . . . . 0.0 113.184 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.97 26.99 47.31 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.174 1.368 . . . . 0.0 114.789 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -72.82 -30.07 63.75 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.467 1.134 . . . . 0.0 113.651 -174.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.71 6.4 89.4 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.181 1.372 . . . . 0.0 113.78 -174.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 p -140.08 158.17 44.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.43 1.892 . . . . 0.0 111.234 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.79 124.01 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.763 1.625 . . . . 0.0 108.663 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.29 153.23 36.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.902 1.281 . . . . 0.0 111.574 174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -49.23 -49.71 68.48 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 117.201 -1.381 . . . . 0.0 114.582 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.34 -28.33 63.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.058 1.839 . . . . 0.0 114.098 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.45 -40.99 61.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.676 1.125 . . . . 0.0 111.007 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -58.49 -44.09 89.24 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.897 0.879 . . . . 0.0 111.451 170.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.27 -34.06 77.15 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.337 -0.852 . . . . 0.0 112.288 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -45.35 82.25 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.434 1.094 . . . . 0.0 111.663 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ptp -62.92 -29.99 71.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.225 0.92 . . . . 0.0 112.933 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 71.2 mtp -73.77 -48.77 29.24 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.109 0.563 . . . . 0.0 111.046 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.73 -32.36 70.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.492 1.117 . . . . 0.0 113.884 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -78.05 -31.19 50.21 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.65 1.18 . . . . 0.0 112.854 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -94.44 -22.16 18.46 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.0 mmt -73.27 99.68 2.94 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.498 1.519 . . . . 0.0 110.192 170.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -139.99 153.55 46.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.787 1.235 . . . . 0.0 112.17 -173.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.6 -10.26 59.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.277 1.031 . . . . 0.0 113.39 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -137.43 -176.86 4.54 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.894 2.077 . . . . 0.0 110.329 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -158.62 171.05 20.82 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.322 1.449 . . . . 0.0 112.751 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.8 m -63.17 123.18 17.97 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -156.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.43 -41.12 88.83 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.462 -0.774 . . . . 0.0 111.98 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.74 -33.74 76.33 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.911 0.884 . . . . 0.0 112.158 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.79 -41.34 78.88 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 111.012 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mt -71.57 -40.06 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.502 0.721 . . . . 0.0 110.427 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -62.36 -40.16 95.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.097 0.959 . . . . 0.0 112.405 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.52 -35.82 80.6 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.815 0.734 . . . . 0.0 111.988 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.88 89.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.196 0.598 . . . . 0.0 112.149 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -69.39 -34.61 74.78 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 -60.8 -34.99 75.34 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.8 -19.93 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -85.61 -11.85 52.91 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 113.005 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -83.94 123.71 30.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.181 0.992 . . . . 0.0 109.71 170.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -71.1 -16.2 62.55 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.5 -19.93 3.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.441 1.496 . . . . 0.0 114.004 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.59 24.27 47.1 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.653 1.12 . . . . 0.0 112.746 -168.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.01 -24.74 60.78 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.46 1.504 . . . . 0.0 114.372 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.57 13.45 44.32 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.61 1.576 . . . . 0.0 113.651 -174.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.06 142.05 31.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.931 1.293 . . . . 0.0 113.847 -174.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.47 160.03 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.517 1.927 . . . . 0.0 110.292 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -73.66 147.12 44.0 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.766 -1.209 . . . . 0.0 111.893 173.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.79 81.48 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.889 -1.132 . . . . 0.0 112.427 174.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.25 66.09 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.282 -0.886 . . . . 0.0 111.48 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.97 -46.03 90.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.947 1.299 . . . . 0.0 111.153 172.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.3 -46.22 90.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.775 0.83 . . . . 0.0 111.346 173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -60.44 -39.62 88.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.119 0.568 . . . . 0.0 112.026 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.5 -52.66 20.33 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.571 0.748 . . . . 0.0 112.248 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.78 -27.29 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.249 0.931 . . . . 0.0 112.739 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 36.2 mmt -77.95 -27.24 49.24 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.1 p -91.83 -33.79 14.81 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.309 0.959 . . . . 0.0 112.255 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -82.28 -49.22 10.3 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.07 142.43 32.31 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.719 0.807 . . . . 0.0 112.254 -172.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.02 -146.28 39.44 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.867 1.223 . . . . 0.0 112.445 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.39 155.27 32.99 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.255 0.55 . . . . 0.0 110.449 163.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.77 126.58 33.54 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.674 -1.266 . . . . 0.0 112.521 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -81.37 142.04 33.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.788 1.235 . . . . 0.0 108.635 163.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.1 p -82.3 163.98 21.43 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.835 0.826 . . . . 0.0 112.912 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.8 -42.46 93.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.648 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.74 -20.39 63.51 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -86.68 -54.21 4.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.895 1.278 . . . . 0.0 110.125 172.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.94 -33.48 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.333 -0.854 . . . . 0.0 112.305 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.42 -30.98 70.0 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.715 1.143 . . . . 0.0 111.993 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.18 -41.59 73.53 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.45 0.7 . . . . 0.0 110.737 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.5 ttm -58.42 -48.53 80.37 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.708 0.803 . . . . 0.0 111.2 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.88 -39.85 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.594 0.757 . . . . 0.0 111.386 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -60.38 -45.44 93.52 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.296 0.953 . . . . 0.0 111.467 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -77.21 -21.62 53.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.86 -43.76 44.05 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.818 0.847 . . . . 0.0 112.298 171.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.42 -31.56 72.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.099 1.359 . . . . 0.0 113.551 -174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.9 pt -75.15 -15.25 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.1 -29.91 10.09 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.254 1.422 . . . . 0.0 113.364 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -84.59 -156.4 24.89 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.379 1.466 . . . . 0.0 114.05 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -148.71 44.14 1.01 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 110.598 -174.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.76 -41.24 2.54 Favored Glycine 0 N--CA 1.478 1.481 0 C-N-CA 125.589 1.566 . . . . 0.0 111.684 -169.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -81.23 137.56 35.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.644 0.778 . . . . 0.0 109.114 155.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -88.18 123.9 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.924 1.69 . . . . 0.0 109.478 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -77.86 90.36 4.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 164.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -66.07 -26.89 67.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.07 -42.96 93.68 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.322 1.049 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -75.51 -29.52 59.52 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.225 1.01 . . . . 0.0 112.56 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -65.75 -39.6 91.23 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.185 -0.947 . . . . 0.0 112.94 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.44 -38.38 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.464 -0.773 . . . . 0.0 111.456 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -67.25 -21.37 65.73 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 75.0 mtm -84.57 -39.14 19.1 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.268 1.027 . . . . 0.0 112.192 168.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.4 ttm -63.73 -35.31 80.15 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.654 1.182 . . . . 0.0 113.246 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 40.4 p -79.62 -11.87 59.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.31 167.02 18.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.766 1.227 . . . . 0.0 112.659 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.5 mttm . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.478 1.511 . . . . 0.0 110.993 169.427 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 118.565 -1.131 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.1 154.04 57.3 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.832 3.021 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -81.22 0.21 87.93 Favored Glycine 0 N--CA 1.478 1.475 0 C-N-CA 124.239 0.923 . . . . 0.0 115.404 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 33.2 p -119.75 -83.63 0.65 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.077 1.751 . . . . 0.0 111.287 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -49.75 -36.19 24.91 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 113.773 -171.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -69.29 -35.07 75.63 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.72 0.808 . . . . 0.0 112.785 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.2 m -93.26 -29.03 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.821 0.849 . . . . 0.0 112.147 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 70.7 m -59.36 -39.93 84.85 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.083 -1.011 . . . . 0.0 111.606 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.51 78.54 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.674 -0.641 . . . . 0.0 111.084 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 75.0 mtm -65.83 -30.35 70.96 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.3 t -63.73 -45.36 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.195 0.907 . . . . 0.0 110.732 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.13 -41.43 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 121.759 -0.588 . . . . 0.0 111.09 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.65 -46.16 77.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.022 0.929 . . . . 0.0 111.582 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -60.09 -47.62 85.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.082 0.953 . . . . 0.0 111.697 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.94 94.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.994 0.518 . . . . 0.0 111.723 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 66.7 t80 -64.55 -43.66 93.23 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.527 0.731 . . . . 0.0 112.424 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -63.36 -41.93 98.86 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.433 -0.792 . . . . 0.0 112.024 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.179 0.992 . . . . 0.0 112.365 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.94 -45.79 92.17 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.127 0.971 . . . . 0.0 113.143 170.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.28 -35.83 72.39 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.823 1.249 . . . . 0.0 113.322 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.06 -23.74 66.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -81.09 -37.02 29.66 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.77 0.714 . . . . 0.0 111.535 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -98.27 -18.98 18.08 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -173.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 97.0 p -86.32 -33.4 20.61 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.709 1.14 . . . . 0.0 113.538 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.49 12.26 3.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.579 2.352 . . . . 0.0 114.292 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 31.1 mtpp -75.45 163.41 27.44 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.708 -1.245 . . . . 0.0 112.977 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -131.16 145.83 52.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.329 1.452 . . . . 0.0 111.423 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -74.72 -7.68 54.07 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 25.7 p -76.05 -26.27 56.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.559 1.144 . . . . 0.0 113.002 170.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 27.3 m-85 70.8 -29.5 0.19 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 129.139 2.976 . . . . 0.0 115.349 173.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.257 1.483 0 C-N-CA 125.943 1.697 . . . . 0.0 112.963 177.871 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.576 0.227 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -114.31 7.99 16.59 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.585 1.554 . . . . 0.0 112.661 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -139.4 179.64 6.42 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.891 1.676 . . . . 0.0 110.772 -172.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -54.18 144.71 19.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.957 1.303 . . . . 0.0 113.643 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.1 p -82.54 163.43 21.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.822 1.249 . . . . 0.0 111.433 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.96 -34.33 73.13 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.53 -25.71 50.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.07 -48.21 53.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.933 0.788 . . . . 0.0 110.137 167.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.3 mt -55.97 -44.59 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.528 1.131 . . . . 0.0 110.933 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.46 71.34 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -79.72 -44.38 20.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.609 1.164 . . . . 0.0 111.192 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -65.08 -28.76 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.146 -0.971 . . . . 0.0 112.659 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.97 -38.68 76.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.314 1.045 . . . . 0.0 112.781 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -65.38 -40.49 93.56 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.578 0.751 . . . . 0.0 111.883 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.81 -43.11 63.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.341 0.656 . . . . 0.0 112.229 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.58 -39.57 93.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.245 1.018 . . . . 0.0 112.106 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -66.24 -22.05 66.31 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -27.92 64.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.534 1.061 . . . . 0.0 111.813 175.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -95.45 -5.06 43.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.148 1.779 . . . . 0.0 113.436 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.8 68.09 3.8 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.197 1.799 . . . . 0.0 110.971 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -65.51 -23.14 66.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.699 1.6 . . . . 0.0 114.978 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.69 -18.58 24.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.849 1.26 . . . . 0.0 113.282 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.02 90.38 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.267 1.413 . . . . 0.0 114.777 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -7.3 53.34 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.286 1.434 . . . . 0.0 113.683 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.18 28.08 9.54 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.986 1.279 . . . . 0.0 113.783 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.0 p -130.9 137.24 49.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.474 1.51 . . . . 0.0 111.477 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.64 159.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.012 0.925 . . . . 0.0 110.823 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -73.7 150.78 41.01 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -60.57 -37.95 83.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.174 0.99 . . . . 0.0 112.434 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -65.59 -25.92 67.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 175.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.34 -11.78 59.93 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.523 1.129 . . . . 0.0 112.836 175.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.38 -44.3 92.78 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 121.134 -0.979 . . . . 0.0 110.947 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -21.81 63.7 Favored Glycine 0 N--CA 1.471 1.02 0 C-N-CA 123.854 0.74 . . . . 0.0 113.0 177.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -83.36 -47.26 11.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.2 1.4 . . . . 0.0 111.313 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.62 -28.96 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.888 1.222 . . . . 0.0 111.884 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -53.42 -52.44 59.39 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.77 1.228 . . . . 0.0 110.851 166.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -72.41 -29.38 63.68 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.055 0.942 . . . . 0.0 113.346 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.9 m -63.44 -23.42 67.39 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.464 1.029 . . . . 0.0 113.12 167.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.5 mt -103.91 15.89 27.58 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.885 1.674 . . . . 0.0 112.538 173.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.47 86.66 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.07 1.319 . . . . 0.0 115.734 174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -89.74 130.92 35.93 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.907 1.283 . . . . 0.0 109.869 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -125.83 68.57 62.83 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.082 0.953 . . . . 0.0 112.231 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.67 152.51 42.63 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.604 2.87 . . . . 0.0 110.93 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -67.15 168.0 11.07 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 122.281 -0.262 . . . . 0.0 110.98 166.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.68 -36.49 72.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.497 -0.752 . . . . 0.0 111.613 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.46 67.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.194 0.997 . . . . 0.0 112.467 176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -66.21 -34.38 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.081 0.855 . . . . 0.0 111.805 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 tp -68.72 -47.73 65.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.695 0.798 . . . . 0.0 110.834 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.62 -36.57 78.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.751 0.82 . . . . 0.0 111.622 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.04 -34.51 77.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.137 0.975 . . . . 0.0 113.132 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 79.4 mtm -76.88 -41.16 44.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.766 0.712 . . . . 0.0 111.457 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.54 -59.01 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.558 1.143 . . . . 0.0 110.892 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.95 -18.15 63.35 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.95 -45.52 67.26 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.31 1.044 . . . . 0.0 111.287 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -87.2 -33.19 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -107.62 56.07 0.64 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.41 1.484 . . . . 0.0 111.023 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.98 -22.95 66.5 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.265 1.026 . . . . 0.0 113.742 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.16 -15.35 44.05 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.325 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.38 41.1 9.42 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.471 1.034 . . . . 0.0 114.066 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -69.51 -26.72 64.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.669 1.188 . . . . 0.0 113.211 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 10.31 79.11 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.107 1.337 . . . . 0.0 113.217 -171.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -139.01 157.63 45.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.871 1.669 . . . . 0.0 112.314 -175.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -125.52 134.6 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 126.081 1.752 . . . . 0.0 109.459 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.11 151.14 20.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.28 1.432 . . . . 0.0 111.513 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -52.89 -49.35 87.49 Favored Pre-proline 0 CA--C 1.547 0.836 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.01 -25.42 51.75 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.084 1.856 . . . . 0.0 113.676 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -73.9 -42.96 59.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.633 1.106 . . . . 0.0 111.094 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.29 -42.5 91.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.614 1.166 . . . . 0.0 111.885 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.92 -34.31 77.83 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.25 -0.906 . . . . 0.0 112.338 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.78 -47.09 76.32 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.364 1.066 . . . . 0.0 111.5 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -63.81 -29.57 70.76 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.5 mmm -74.95 -41.31 59.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.099 0.96 . . . . 0.0 112.101 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.45 -50.16 74.73 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.24 1.416 . . . . 0.0 112.484 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.99 -19.66 53.56 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.402 1.881 . . . . 0.0 114.19 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -83.84 -26.51 29.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.0 mtt -87.6 165.74 15.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.338 1.055 . . . . 0.0 113.821 -166.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -148.65 153.91 38.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.912 2.085 . . . . 0.0 111.743 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.39 22.17 0.93 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.444 1.098 . . . . 0.0 113.194 -171.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -147.6 176.02 10.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.425 1.09 . . . . 0.0 113.306 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -129.13 160.89 31.41 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.598 2.359 . . . . 0.0 111.346 -171.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.4 t -81.46 145.85 30.53 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -170.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -54.54 -32.93 59.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.089 0.956 . . . . 0.0 112.331 168.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -67.53 -35.62 79.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.719 0.691 . . . . 0.0 112.007 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.69 -43.68 65.53 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.221 1.008 . . . . 0.0 109.982 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.2 mt -63.18 -43.81 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.325 1.05 . . . . 0.0 110.324 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -61.46 -46.25 90.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.978 0.911 . . . . 0.0 112.254 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -33.85 76.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.97 0.908 . . . . 0.0 112.604 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.394 -0.816 . . . . 0.0 111.876 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.22 -39.74 89.82 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 170.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.7 -35.98 81.47 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.802 0.841 . . . . 0.0 112.738 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.0 t -58.87 -30.65 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.004 0.922 . . . . 0.0 112.291 171.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.87 -11.47 39.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -71.44 136.41 47.65 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.618 1.167 . . . . 0.0 110.53 175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -79.13 -11.41 59.98 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -147.86 -11.83 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.92 21.32 50.7 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.867 1.222 . . . . 0.0 112.469 -168.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -14.47 60.1 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -171.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.65 8.83 56.98 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.221 1.391 . . . . 0.0 114.708 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -136.83 146.23 45.38 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.4 158.65 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.797 2.039 . . . . 0.0 109.968 174.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -74.13 144.04 45.07 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.761 -1.212 . . . . 0.0 111.987 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.48 96.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 0.0 112.705 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.29 77.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.619 -0.675 . . . . 0.0 111.678 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.27 -40.88 81.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.917 0.887 . . . . 0.0 111.618 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.51 -48.65 80.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.987 0.915 . . . . 0.0 110.923 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -53.8 -46.7 71.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.327 0.651 . . . . 0.0 111.856 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.32 -48.59 64.49 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.359 -0.838 . . . . 0.0 113.007 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -20.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.928 -1.108 . . . . 0.0 112.459 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -12.1 51.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.658 1.583 . . . . 0.0 114.89 171.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.8 p -120.31 -13.7 8.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.401 1.455 . . . . 0.0 114.616 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.35 -5.73 23.85 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -132.08 161.12 34.03 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.773 2.029 . . . . 0.0 110.934 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.26 -144.37 49.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.436 1.017 . . . . 0.0 114.623 166.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.16 112.9 24.55 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.626 1.57 . . . . 0.0 109.957 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -69.6 156.77 38.41 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -168.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.27 166.96 23.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 110.942 177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -80.22 163.14 24.25 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.012 1.325 . . . . 0.0 113.602 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.97 -35.45 64.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 113.843 -1.526 . . . . 0.0 111.796 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.14 -43.33 71.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.037 0.935 . . . . 0.0 111.569 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -68.61 -36.14 78.27 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.659 1.118 . . . . 0.0 112.298 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 26.6 m -70.44 -32.85 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 120.899 1.682 . . . . 0.0 112.628 171.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.83 -39.84 91.22 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.756 1.162 . . . . 0.0 111.399 174.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -60.6 -50.33 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.9 0.88 . . . . 0.0 111.095 168.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttm -57.82 -53.05 62.54 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.313 1.045 . . . . 0.0 111.844 -176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.4 mm -65.85 -37.37 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.229 0.468 . . . . 0.0 111.634 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -62.16 -42.14 98.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.486 0.584 . . . . 0.0 111.805 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -79.94 -21.96 43.24 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.509 1.05 . . . . 0.0 113.666 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.39 -51.37 6.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.589 1.156 . . . . 0.0 113.446 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.27 -43.92 10.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.776 1.23 . . . . 0.0 111.973 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mt 72.89 -62.93 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.215 2.606 . . . . 0.0 112.306 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -165.13 33.0 0.06 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.42 2.288 . . . . 0.0 111.095 -176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.49 -171.09 45.02 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.538 1.542 . . . . 0.0 114.118 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.25 4.59 22.99 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.206 1.402 . . . . 0.0 113.691 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.93 -2.11 59.86 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 126.234 1.873 . . . . 0.0 113.664 -174.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -101.14 128.85 47.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.445 1.122 . . . . 0.0 109.719 171.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.9 t -88.37 121.98 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 125.748 1.619 . . . . 0.0 108.589 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.22 92.31 3.27 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 161.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -70.55 -24.36 62.78 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.432 -0.792 . . . . 0.0 112.523 -176.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.41 -41.44 97.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.023 0.929 . . . . 0.0 111.894 -174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.35 -43.04 64.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.722 0.809 . . . . 0.0 111.82 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -61.43 -24.48 66.57 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.95 -38.81 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 118.921 0.782 . . . . 0.0 112.007 166.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -88.74 -23.17 22.99 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.415 0.686 . . . . 0.0 112.825 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.6 86.94 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.932 -1.105 . . . . 0.0 111.561 167.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 22.2 ptp -85.47 -5.44 59.29 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 50.8 p -94.1 -27.78 16.07 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.79 1.177 . . . . 0.0 111.854 164.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.88 165.15 24.73 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.816 1.246 . . . . 0.0 114.107 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.2 2.6 . . . . 0.0 110.147 176.138 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.396 0 CA-C-O 118.533 -1.148 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.2 155.37 40.46 Favored 'Trans proline' 0 CA--C 1.534 0.523 0 C-N-CA 124.244 3.296 . . . . 0.0 113.071 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -68.54 -5.4 43.88 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.901 0.762 . . . . 0.0 114.562 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 18.5 t -60.36 -36.81 78.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.421 1.489 . . . . 0.0 110.333 172.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.58 -47.81 83.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 111.799 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -67.36 -45.59 75.88 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.254 1.022 . . . . 0.0 111.677 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.1 m -70.93 -29.48 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.483 0.583 . . . . 0.0 112.283 177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -66.01 -48.73 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.304 0.956 . . . . 0.0 111.68 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -51.52 -42.77 61.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.739 0.816 . . . . 0.0 112.333 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.02 -24.83 67.29 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 39.1 t -78.68 -33.8 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.472 1.033 . . . . 0.0 111.052 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 49.2 mt -75.02 -42.48 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.184 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -63.59 -41.28 98.35 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.787 0.835 . . . . 0.0 112.118 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 7.8 ptm85 -69.62 -36.51 76.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.436 1.016 . . . . 0.0 112.299 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -70.12 -37.19 75.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.768 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 46.9 t80 -72.38 -41.75 66.01 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.68 -0.637 . . . . 0.0 112.135 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -59.93 -43.4 94.96 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.94 0.791 . . . . 0.0 111.269 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -57.09 -48.98 77.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 111.072 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 79.5 t60 -57.44 -46.06 84.01 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.228 0.922 . . . . 0.0 113.14 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.46 -40.42 93.16 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.358 0.981 . . . . 0.0 112.283 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 49.0 tp -64.52 -39.4 93.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.077 0.951 . . . . 0.0 111.588 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -70.37 -37.94 74.66 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.007 0.923 . . . . 0.0 112.047 175.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -70.46 -48.83 54.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.524 1.129 . . . . 0.0 112.37 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 50.9 m -131.68 3.27 4.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -162.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.47 12.29 3.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.473 1.909 . . . . 0.0 113.169 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 51.3 mttm 51.85 32.71 10.15 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.972 1.709 . . . . 0.0 113.837 -167.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 12.7 t60 -63.57 139.9 58.82 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.541 1.136 . . . . 0.0 111.288 167.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -135.39 176.52 8.6 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.706 1.603 . . . . 0.0 111.898 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 15.2 m -61.72 -19.29 62.24 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 23.4 t80 -128.11 2.43 5.84 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.417 1.487 . . . . 0.0 113.063 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.846 1.658 . . . . 0.0 111.458 -173.06 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.544 0.212 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -157.74 -51.06 0.07 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.302 1.441 . . . . 0.0 111.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 76.42 173.51 0.23 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.562 2.345 . . . . 0.0 113.163 169.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.8 mt -54.46 157.7 2.75 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 167.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.4 p -88.18 158.32 18.56 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.788 1.235 . . . . 0.0 110.794 167.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.79 -31.88 72.12 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.636 -0.665 . . . . 0.0 112.325 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.54 -29.24 62.33 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.465 0.706 . . . . 0.0 112.817 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -73.95 -43.01 59.65 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.327 0.967 . . . . 0.0 111.012 170.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.4 mt -54.73 -39.51 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.887 0.875 . . . . 0.0 111.135 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.04 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -79.61 -45.21 19.55 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.743 0.817 . . . . 0.0 111.289 175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.56 -28.41 67.77 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.528 -0.733 . . . . 0.0 112.746 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -57.96 -38.58 76.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.303 1.041 . . . . 0.0 112.482 173.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.74 -42.43 86.25 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.568 0.747 . . . . 0.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -43.62 73.24 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.405 -0.809 . . . . 0.0 112.204 176.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -64.68 -35.16 80.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.577 0.751 . . . . 0.0 112.62 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -62.73 -31.66 72.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.81 -25.53 62.91 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.856 -1.153 . . . . 0.0 112.466 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 -13.63 31.47 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.209 1.404 . . . . 0.0 113.204 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -75.61 77.43 2.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.537 1.535 . . . . 0.0 110.477 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -72.42 -17.15 61.82 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.473 1.509 . . . . 0.0 114.223 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.03 -20.87 19.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.055 1.342 . . . . 0.0 112.915 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.91 13.26 79.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.282 1.42 . . . . 0.0 114.536 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -98.18 -2.96 38.62 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.376 1.47 . . . . 0.0 113.809 -172.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.04 19.15 52.06 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.527 1.061 . . . . 0.0 114.279 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.2 p -124.19 162.11 24.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.003 1.721 . . . . 0.0 111.766 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 pt -125.71 161.34 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.824 1.249 . . . . 0.0 110.848 164.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -69.21 147.78 50.8 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 p -57.86 -36.56 72.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.122 0.969 . . . . 0.0 112.757 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.7 -23.77 65.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.505 1.122 . . . . 0.0 113.437 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -82.78 -9.47 59.33 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.606 1.562 . . . . 0.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.2 tp -59.79 -45.38 92.49 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 120.931 -1.105 . . . . 0.0 112.039 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.22 66.11 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.358 0.504 . . . . 0.0 112.398 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -75.04 -42.6 56.82 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.584 1.153 . . . . 0.0 111.489 174.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.62 -29.61 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.99 1.268 . . . . 0.0 111.916 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -57.56 -53.49 57.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.749 0.82 . . . . 0.0 110.838 166.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -60.1 -40.99 91.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.803 1.241 . . . . 0.0 112.323 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.4 t -62.97 -36.23 82.79 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.613 0.765 . . . . 0.0 113.031 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.46 -4.01 56.73 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.296 1.438 . . . . 0.0 113.726 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.69 14.21 80.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.602 1.096 . . . . 0.0 114.379 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.39 147.32 32.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.735 1.214 . . . . 0.0 110.37 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.96 64.29 14.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.073 0.949 . . . . 0.0 112.747 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -71.86 157.44 55.02 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.538 2.825 . . . . 0.0 110.792 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -68.48 149.19 49.57 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.864 0.866 . . . . 0.0 109.606 174.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.31 -42.87 92.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.941 0.896 . . . . 0.0 112.602 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.09 73.82 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -71.72 -42.25 67.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.615 0.766 . . . . 0.0 110.88 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.22 -40.51 90.36 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.447 1.099 . . . . 0.0 111.439 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -62.68 -38.29 89.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.531 0.733 . . . . 0.0 111.466 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.02 -29.82 69.75 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.6 mtt -67.81 -41.39 83.16 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.183 0.901 . . . . 0.0 110.514 172.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.4 -48.18 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.773 0.829 . . . . 0.0 110.084 173.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -60.03 -34.4 73.33 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -67.32 -44.39 79.26 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.832 0.853 . . . . 0.0 111.607 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 m -89.86 -31.06 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -103.31 31.16 4.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.766 1.626 . . . . 0.0 112.512 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.02 -26.23 64.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.381 1.073 . . . . 0.0 113.821 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.55 -8.22 58.99 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.284 1.434 . . . . 0.0 113.52 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.14 23.54 54.64 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.697 1.141 . . . . 0.0 115.704 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.24 -26.07 63.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.638 1.219 . . . . 0.0 113.727 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 13.23 76.81 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.154 1.359 . . . . 0.0 113.359 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.9 p -138.41 155.84 48.13 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.576 1.551 . . . . 0.0 111.877 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.2 mt -120.16 128.14 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.02 1.728 . . . . 0.0 108.679 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -89.66 151.0 22.1 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.856 1.262 . . . . 0.0 111.138 173.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -54.76 -44.24 99.14 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.1 -35.63 97.69 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.792 2.328 . . . . 0.0 113.791 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.53 -37.06 65.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.252 1.021 . . . . 0.0 112.316 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -62.6 -40.45 96.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.904 0.881 . . . . 0.0 111.914 172.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.44 -29.79 71.02 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.4 m -65.44 -31.86 73.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.431 1.093 . . . . 0.0 112.437 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.6 mtt -64.98 -35.07 80.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.46 0.573 . . . . 0.0 112.004 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.5 mmm -81.52 -37.68 27.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 112.149 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.71 -45.58 49.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.964 1.706 . . . . 0.0 114.294 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -60.25 -18.44 48.92 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.072 1.749 . . . . 0.0 114.389 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -85.0 -23.97 28.45 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.645 1.178 . . . . 0.0 114.148 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 mmt -87.02 -12.06 48.54 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -150.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 158.33 34.37 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.262 1.392 . . . . 0.0 112.943 174.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.17 -33.51 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -89.13 166.62 13.72 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.311 1.044 . . . . 0.0 113.767 -164.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -79.04 161.66 26.43 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.221 1.808 . . . . 0.0 112.238 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.2 p -81.32 142.29 33.23 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.091 -1.005 . . . . 0.0 113.71 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.35 -37.72 88.5 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.083 0.953 . . . . 0.0 111.398 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.92 -35.79 75.64 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.385 1.074 . . . . 0.0 112.584 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -62.69 -34.83 77.93 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.412 0.685 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 mt -81.27 -39.32 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.641 1.176 . . . . 0.0 109.735 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -63.2 -43.29 98.6 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.822 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.35 -35.63 81.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.084 0.856 . . . . 0.0 111.85 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.32 90.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 0.0 111.556 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.99 -37.33 67.05 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.799 -0.563 . . . . 0.0 112.38 170.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -63.86 -38.36 90.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.582 -0.723 . . . . 0.0 112.346 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.49 -20.42 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 119.795 1.179 . . . . 0.0 113.706 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -86.87 -8.79 56.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -86.19 108.14 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -82.03 -8.11 59.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.503 1.121 . . . . 0.0 113.73 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.39 -26.95 6.11 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.909 1.284 . . . . 0.0 114.161 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.3 48.18 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.35 1.452 . . . . 0.0 113.326 -173.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.22 -18.17 60.18 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.25 1.42 . . . . 0.0 114.405 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.58 12.17 65.04 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.974 1.273 . . . . 0.0 113.439 -172.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.89 152.43 46.42 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.842 1.657 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.1 pt -131.11 153.96 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.055 1.742 . . . . 0.0 108.911 170.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.3 p -77.77 150.93 34.27 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.456 -1.403 . . . . 0.0 112.053 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.96 -32.51 72.96 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.143 -0.973 . . . . 0.0 111.964 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.29 82.84 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.306 1.043 . . . . 0.0 111.773 172.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.86 -49.17 77.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.699 0.8 . . . . 0.0 110.845 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -46.52 87.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.881 0.764 . . . . 0.0 112.222 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -60.28 -42.97 96.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.539 0.735 . . . . 0.0 111.021 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -70.6 -51.65 26.84 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.35 -31.51 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.488 1.04 . . . . 0.0 111.655 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.4 mmt -81.54 -18.41 45.08 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.1 p -95.57 -24.11 16.76 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.759 1.163 . . . . 0.0 112.264 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -85.49 -33.22 21.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.451 1.101 . . . . 0.0 113.522 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.36 162.57 21.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.614 1.566 . . . . 0.0 113.127 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.11 -134.06 13.81 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.357 1.456 . . . . 0.0 112.308 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.31 1.2 57.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.705 1.202 . . . . 0.0 113.246 174.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.6 mttt 59.05 58.45 3.13 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.283 1.433 . . . . 0.0 112.952 161.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.24 164.84 4.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.501 1.521 . . . . 0.0 114.475 -175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 m -62.84 153.95 31.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.189 1.796 . . . . 0.0 112.71 -168.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.93 -32.51 70.85 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.351 1.06 . . . . 0.0 112.516 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.9 -32.75 69.79 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.359 1.063 . . . . 0.0 112.694 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -73.59 -48.99 28.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.128 0.971 . . . . 0.0 110.205 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.52 -31.06 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.478 1.035 . . . . 0.0 112.909 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.49 -42.74 99.7 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 120.472 1.487 . . . . 0.0 111.295 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -65.3 -39.04 91.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.72 0.808 . . . . 0.0 112.016 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.9 ttm -60.66 -37.41 81.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.82 0.848 . . . . 0.0 112.046 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -75.03 -42.83 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.778 -0.576 . . . . 0.0 111.787 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -56.33 -40.39 74.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.54 1.136 . . . . 0.0 113.36 -171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.82 -14.98 61.18 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.21 -43.98 5.82 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.801 1.241 . . . . 0.0 112.884 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.81 -28.52 68.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.492 1.517 . . . . 0.0 113.821 -172.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.6 pt -65.42 -15.07 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.189 1.395 . . . . 0.0 114.221 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -121.79 -36.6 3.0 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.184 1.794 . . . . 0.0 112.901 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -15.37 56.47 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.337 1.446 . . . . 0.0 115.745 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 t70 57.81 33.4 23.18 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.517 1.527 . . . . 0.0 113.69 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.71 -11.67 49.92 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.593 1.568 . . . . 0.0 114.505 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -107.93 118.14 35.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.193 1.497 . . . . 0.0 109.015 169.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.69 114.61 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.498 1.119 . . . . 0.0 109.377 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -73.16 75.45 1.27 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.945 1.698 . . . . 0.0 109.859 165.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -58.71 -31.42 68.23 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -170.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.4 -42.62 99.02 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.355 0.662 . . . . 0.0 111.213 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.79 -32.88 60.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.401 1.08 . . . . 0.0 111.808 175.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -61.37 -39.11 89.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.62 0.768 . . . . 0.0 112.289 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.54 -38.47 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 118.381 -0.818 . . . . 0.0 111.33 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -67.72 -29.35 68.58 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.251 0.932 . . . . 0.0 112.525 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.6 mtm -81.0 -34.17 33.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.311 1.044 . . . . 0.0 111.748 174.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.5 ttp -71.44 -44.19 65.29 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.542 1.137 . . . . 0.0 112.674 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.0 p -78.73 -33.76 46.44 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.749 0.82 . . . . 0.0 111.619 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 76.82 158.54 0.2 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.156 2.982 . . . . 0.0 113.534 174.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.815 1.646 . . . . 0.0 111.321 -174.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 CA-C-O 119.324 -0.709 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -56.27 150.34 50.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 124.82 3.68 . . . . 0.0 113.271 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . -84.57 148.99 24.21 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.122 0.868 . . . . 0.0 113.198 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -66.24 -42.07 89.12 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.748 -0.854 . . . . 0.0 110.577 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.43 -38.32 86.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.679 1.592 . . . . 0.0 112.066 170.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.86 -46.89 67.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.941 0.896 . . . . 0.0 111.632 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 32.7 m -69.51 -32.45 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.0 0.818 . . . . 0.0 111.962 175.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.9 m -62.4 -45.99 90.61 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.637 -0.665 . . . . 0.0 111.58 173.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.71 78.05 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.986 0.514 . . . . 0.0 111.317 172.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.17 -37.15 84.15 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 49.4 t -65.27 -42.19 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 119.358 0.981 . . . . 0.0 110.987 176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 58.8 mt -70.77 -40.89 77.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.549 0.613 . . . . 0.0 111.319 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.61 -39.03 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.9 0.88 . . . . 0.0 111.637 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -60.11 -49.72 76.53 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.956 0.902 . . . . 0.0 111.433 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.41 99.12 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.671 0.789 . . . . 0.0 111.988 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -69.55 -42.94 73.93 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.46 0.704 . . . . 0.0 112.668 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -62.76 -39.71 94.99 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.285 -0.885 . . . . 0.0 112.163 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.31 -41.82 93.65 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.448 0.699 . . . . 0.0 112.17 172.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 81.6 t60 -56.88 -45.04 82.79 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.781 0.833 . . . . 0.0 112.26 173.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.3 -41.5 89.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.082 0.855 . . . . 0.0 112.901 174.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.55 -40.25 96.51 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.376 -0.827 . . . . 0.0 112.085 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -76.04 -11.11 59.89 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.885 1.274 . . . . 0.0 113.19 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -84.29 -43.43 14.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.177 0.991 . . . . 0.0 111.705 166.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 62.3 m -84.42 -46.41 11.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.1 mm? 60.45 -73.57 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.48 2.712 . . . . 0.0 112.324 -172.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 61.4 mttp -75.85 38.91 0.17 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.471 2.308 . . . . 0.0 112.653 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -57.72 -29.1 64.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.694 1.598 . . . . 0.0 114.979 -156.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -70.17 -18.67 63.21 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 40.5 m -131.97 10.42 4.61 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.77 1.628 . . . . 0.0 113.007 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 58.2 t80 -71.9 -23.79 61.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.021 1.328 . . . . 0.0 113.724 -172.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.838 2.055 . . . . 0.0 111.3 178.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.203 0.525 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -96.38 11.15 35.83 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.172 1.789 . . . . 0.0 113.341 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -153.62 156.01 37.14 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.769 2.028 . . . . 0.0 109.234 -170.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.4 mt -65.17 153.67 40.24 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.723 -0.61 . . . . 0.0 112.412 167.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.8 p -129.17 165.94 20.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.344 2.258 . . . . 0.0 110.474 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -52.6 -37.94 59.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.853 1.261 . . . . 0.0 113.373 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -21.38 61.93 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -86.37 -43.52 12.79 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.406 -0.809 . . . . 0.0 110.425 169.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.2 mt -56.24 -36.46 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.427 1.491 . . . . 0.0 111.706 178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.32 67.3 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.87 -43.04 15.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.816 1.246 . . . . 0.0 111.38 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -66.0 -30.18 70.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.798 0.839 . . . . 0.0 112.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 65' ' ' PHE . 18.3 tppt? -54.72 -42.63 71.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.338 1.055 . . . . 0.0 112.635 169.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.69 -39.66 94.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.762 0.825 . . . . 0.0 112.06 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -44.49 55.7 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.838 -0.539 . . . . 0.0 111.978 174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.93 -40.5 93.48 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.62 0.768 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -64.57 -22.29 66.93 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -20.3 45.22 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.715 1.143 . . . . 0.0 112.913 175.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -96.12 -13.03 23.91 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.535 1.534 . . . . 0.0 112.83 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -74.65 60.98 0.94 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.759 1.624 . . . . 0.0 110.704 164.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -71.08 -21.13 62.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.28 1.432 . . . . 0.0 113.519 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -82.16 -19.45 39.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.889 1.276 . . . . 0.0 112.978 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.39 7.73 87.21 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.395 1.474 . . . . 0.0 115.039 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -91.95 -12.85 32.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.226 1.41 . . . . 0.0 113.954 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.62 9.09 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.324 1.44 . . . . 0.0 114.522 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.24 148.51 52.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.283 1.433 . . . . 0.0 112.119 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 pt -110.12 165.21 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.991 1.317 . . . . 0.0 110.235 166.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -78.54 161.8 26.77 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.496 -0.753 . . . . 0.0 111.61 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.7 p -63.59 -27.36 69.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.2 166.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -70.15 -43.24 71.28 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.987 1.315 . . . . 0.0 112.193 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -85.62 -5.66 59.25 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 tp -50.22 -54.19 22.82 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.105 -0.997 . . . . 0.0 112.393 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.75 -27.24 68.03 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.973 -0.348 . . . . 0.0 112.336 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -71.34 -38.46 71.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.086 1.355 . . . . 0.0 111.289 172.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.39 -45.14 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 120.147 1.34 . . . . 0.0 110.395 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mtp -67.89 -38.0 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.433 0.693 . . . . 0.0 111.813 -176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -69.67 -34.01 73.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.015 0.926 . . . . 0.0 112.516 172.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.4 m -68.98 -24.4 64.23 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.92 -2.69 44.86 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.546 1.539 . . . . 0.0 113.114 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.93 4.06 75.74 Favored Glycine 0 N--CA 1.472 1.068 0 C-N-CA 125.068 1.318 . . . . 0.0 115.458 171.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -98.19 169.3 9.68 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.672 1.236 . . . . 0.0 111.066 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -143.47 83.0 11.1 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.849 0.86 . . . . 0.0 111.69 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.11 155.99 68.3 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.985 2.457 . . . . 0.0 110.324 168.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -71.72 164.96 24.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.369 0.668 . . . . 0.0 111.731 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.27 -36.51 71.1 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.758 0.823 . . . . 0.0 111.418 169.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.99 79.87 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.306 1.042 . . . . 0.0 112.176 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -63.77 -45.38 90.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.62 0.645 . . . . 0.0 111.12 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 mt -59.92 -49.24 78.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.049 0.54 . . . . 0.0 111.271 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.37 -42.43 95.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.009 0.523 . . . . 0.0 111.919 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.72 -36.17 80.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.42 -33.7 69.65 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.172 0.896 . . . . 0.0 111.103 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.21 -54.83 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.745 0.818 . . . . 0.0 108.88 171.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.8 -27.28 50.32 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -71.19 -28.79 64.48 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.346 1.059 . . . . 0.0 113.069 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.37 -27.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -96.41 20.13 11.02 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.716 1.606 . . . . 0.0 112.864 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -24.59 66.36 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.13 0.972 . . . . 0.0 113.447 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -84.52 -7.82 59.14 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.991 1.317 . . . . 0.0 113.503 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 26.92 46.28 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.012 1.291 . . . . 0.0 114.928 171.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -73.15 -31.57 64.34 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.6 -0.23 86.04 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.705 1.621 . . . . 0.0 114.185 -173.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -135.2 158.94 43.08 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.739 2.016 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -132.12 128.32 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.476 1.911 . . . . 0.0 108.218 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.96 158.62 17.3 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.768 1.227 . . . . 0.0 111.005 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 29.4 t80 -53.84 -43.17 95.97 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -173.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.86 -34.34 82.35 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.962 2.441 . . . . 0.0 113.613 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.97 -42.28 69.95 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.272 1.029 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.95 -41.03 97.52 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.284 1.434 . . . . 0.0 111.647 172.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.08 -32.03 72.06 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.374 -0.829 . . . . 0.0 112.563 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -64.78 -47.73 77.08 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.67 1.123 . . . . 0.0 111.006 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.5 ptp -65.57 -26.16 67.74 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 83.3 mmm -76.13 -45.7 32.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.39 1.076 . . . . 0.0 111.966 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.48 96.9 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.99 1.316 . . . . 0.0 112.786 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.78 -23.08 65.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.369 1.068 . . . . 0.0 113.398 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.26 -16.71 42.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.493 1.117 . . . . 0.0 113.596 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 mmt -76.98 158.03 30.87 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.783 1.233 . . . . 0.0 112.553 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -130.62 144.82 51.68 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.094 1.757 . . . . 0.0 111.805 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -85.24 -17.99 35.34 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.638 1.175 . . . . 0.0 113.355 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -172.05 172.14 4.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.458 1.503 . . . . 0.0 111.535 -158.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -76.1 156.42 33.86 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.617 1.567 . . . . 0.0 112.567 172.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 m -75.59 143.63 42.24 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.107 -0.996 . . . . 0.0 113.575 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -58.19 -28.64 64.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.058 -1.026 . . . . 0.0 111.749 175.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -33.63 76.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.916 1.286 . . . . 0.0 112.834 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.73 -42.02 74.53 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.192 -0.942 . . . . 0.0 110.26 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.76 -37.84 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.749 1.22 . . . . 0.0 110.429 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.61 -50.3 45.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.462 1.105 . . . . 0.0 112.971 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.3 -30.56 70.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.387 1.075 . . . . 0.0 112.284 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.91 67.32 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -77.0 -29.0 55.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.847 -1.158 . . . . 0.0 113.274 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.14 -24.9 67.86 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 m -78.91 -31.78 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.268 0.94 . . . . 0.0 113.359 173.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -81.24 -21.79 39.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.994 0.815 . . . . 0.0 112.597 177.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -84.55 95.73 8.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.818 1.247 . . . . 0.0 110.147 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.74 -12.11 60.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 -174.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -100.81 -24.67 14.33 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.118 1.367 . . . . 0.0 113.133 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.21 11.64 84.83 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.939 1.256 . . . . 0.0 113.41 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -72.29 -18.5 61.79 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.872 1.669 . . . . 0.0 115.171 -169.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.49 9.83 49.28 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.53 1.062 . . . . 0.0 113.955 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -137.61 150.49 47.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.576 1.55 . . . . 0.0 113.397 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.7 161.24 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.362 1.465 . . . . 0.0 110.024 171.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.9 t -73.97 144.37 45.25 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.487 -1.383 . . . . 0.0 111.215 168.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.57 63.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.311 -0.868 . . . . 0.0 112.533 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.12 -25.77 65.46 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.081 -1.012 . . . . 0.0 113.189 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.79 -35.08 74.57 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.585 -0.697 . . . . 0.0 111.178 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.76 -44.21 97.02 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.893 0.77 . . . . 0.0 111.088 170.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -65.41 -29.53 70.23 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -76.11 -47.85 22.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.101 -1.0 . . . . 0.0 112.28 173.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.59 -52.67 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.81 1.244 . . . . 0.0 111.92 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -74.27 -14.42 60.91 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -162.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -119.7 31.73 6.41 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.171 1.788 . . . . 0.0 111.931 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -151.72 -45.06 0.11 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.196 0.999 . . . . 0.0 113.227 175.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.9 mt -89.97 144.5 25.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.893 1.277 . . . . 0.0 111.058 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.35 -154.18 48.07 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.334 0.968 . . . . 0.0 113.513 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -76.86 134.94 38.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.306 0.642 . . . . 0.0 109.755 162.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -93.57 158.19 15.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.546 1.139 . . . . 0.0 112.41 -172.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -107.12 179.12 4.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.761 1.224 . . . . 0.0 111.827 163.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.0 p -78.28 163.96 25.29 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.69 -29.79 68.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.254 1.422 . . . . 0.0 112.542 172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.91 -47.45 37.74 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.363 1.065 . . . . 0.0 111.19 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -74.82 -34.46 62.37 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.663 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.28 -32.62 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 120.6 1.546 . . . . 0.0 111.535 173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.42 -41.73 55.26 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.519 -0.738 . . . . 0.0 111.61 174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -58.85 -39.51 81.52 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 111.423 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.72 -41.13 76.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.03 0.932 . . . . 0.0 111.452 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.3 mt -79.24 -34.09 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.056 0.942 . . . . 0.0 111.636 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.261 1.025 . . . . 0.0 110.994 173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -79.84 -29.34 40.11 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.436 1.094 . . . . 0.0 113.065 171.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.23 -40.76 23.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.577 1.535 . . . . 0.0 113.357 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -69.08 -23.05 63.97 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.757 -170.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.03 -7.17 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.45 1.1 . . . . 0.0 113.679 174.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -113.09 -44.65 3.24 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.65 1.58 . . . . 0.0 112.155 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -119.82 103.08 0.93 Allowed Glycine 0 C--N 1.343 0.949 0 C-N-CA 125.235 1.398 . . . . 0.0 111.852 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.22 111.15 4.96 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.887 1.275 . . . . 0.0 111.774 -176.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.93 -56.99 2.68 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.81 1.671 . . . . 0.0 113.019 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -91.92 120.78 32.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.039 1.335 . . . . 0.0 108.607 170.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.6 t -79.85 122.16 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.756 1.622 . . . . 0.0 109.967 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -79.0 84.35 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.083 0.953 . . . . 0.0 109.17 168.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -66.78 -21.4 66.05 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -57.86 -40.59 80.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.213 1.005 . . . . 0.0 111.226 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.58 -36.67 51.76 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.318 1.047 . . . . 0.0 111.85 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -66.02 -32.3 73.69 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.96 -50.95 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.515 1.126 . . . . 0.0 110.265 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -70.07 -41.71 73.76 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.343 0.657 . . . . 0.0 111.063 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttm -52.16 -43.02 63.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.87 1.268 . . . . 0.0 112.197 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.6 mtm -73.37 -45.43 55.01 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.5 t -94.94 -24.4 16.98 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -163.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.77 144.48 55.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -173.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt . . . . . 0 C--O 1.257 1.47 0 C-N-CA 125.48 1.512 . . . . 0.0 112.713 177.89 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 CA-C-O 119.273 -0.737 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.7 -24.84 9.87 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.908 3.072 . . . . 0.0 113.682 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 80.16 -8.4 52.17 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.937 1.256 . . . . 0.0 114.715 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 6.1 p -62.35 -57.12 12.49 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.964 1.705 . . . . 0.0 110.942 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -58.97 -31.62 68.91 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.338 1.855 . . . . 0.0 112.61 174.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.4 -49.58 53.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.868 0.758 . . . . 0.0 111.728 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 33.2 m -72.96 -28.31 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.117 0.871 . . . . 0.0 112.613 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 62.9 m -63.82 -43.53 95.97 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.885 0.874 . . . . 0.0 111.935 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.24 75.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.02 0.528 . . . . 0.0 111.885 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 44.6 mtt -57.98 -48.87 78.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.993 0.917 . . . . 0.0 112.25 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 98.7 t -66.34 -37.15 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.834 0.854 . . . . 0.0 110.968 -172.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 77.1 mt -69.28 -50.7 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.279 0.49 . . . . 0.0 110.983 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -69.5 -24.07 63.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.01 0.823 . . . . 0.0 112.728 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -75.9 -31.39 59.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.629 1.104 . . . . 0.0 112.172 174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -67.97 -43.84 78.08 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.025 -1.047 . . . . 0.0 110.764 167.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 45.3 t80 -63.64 -42.31 98.15 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 78.9 mtt-85 -55.96 -45.96 78.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.397 1.079 . . . . 0.0 112.339 173.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -70.54 -36.07 73.49 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.734 0.814 . . . . 0.0 112.521 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.62 -42.62 97.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.542 -0.724 . . . . 0.0 111.998 171.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -58.72 -36.08 73.7 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 3.5 tm? -60.72 -49.08 78.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.54 0.609 . . . . 0.0 110.86 174.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -72.69 -22.95 60.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.851 0.861 . . . . 0.0 113.12 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 75.8 ttt-85 -79.54 -48.05 14.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 112.31 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 59.1 m -106.44 -26.81 11.28 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -168.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? 65.97 -60.54 0.29 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 129.518 3.127 . . . . 0.0 113.837 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 94.2 mttt 67.6 16.31 9.86 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.259 2.224 . . . . 0.0 113.853 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -76.7 166.71 23.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.293 1.437 . . . . 0.0 112.501 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . -76.54 143.38 40.38 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.301 -0.874 . . . . 0.0 112.005 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 48.9 m -137.13 14.87 3.04 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.454 1.102 . . . . 0.0 113.493 -175.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.16 -39.21 92.64 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.86 -1.15 . . . . 0.0 113.441 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.707 1.603 . . . . 0.0 112.144 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.694 0.283 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -94.1 -3.89 50.3 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.662 1.585 . . . . 0.0 112.914 -178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -161.39 155.36 22.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.872 1.669 . . . . 0.0 110.149 -162.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.07 145.77 52.27 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.816 1.246 . . . . 0.0 113.683 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.5 p -110.57 162.85 14.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.03 1.332 . . . . 0.0 111.982 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.47 -34.07 74.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.234 1.013 . . . . 0.0 112.894 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.52 -25.45 50.27 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -71.9 -42.35 66.84 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.947 0.794 . . . . 0.0 110.93 171.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.9 mt -56.78 -36.04 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.171 0.989 . . . . 0.0 111.811 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.44 75.64 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.82 0.848 . . . . 0.0 113.07 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.87 -38.26 25.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.279 1.032 . . . . 0.0 112.04 175.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.87 -27.8 69.11 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.605 -0.684 . . . . 0.0 112.014 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -64.67 -39.63 94.01 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.928 0.891 . . . . 0.0 112.692 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.01 -42.38 80.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.439 0.696 . . . . 0.0 111.423 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.58 96.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.58 -38.88 91.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.389 1.075 . . . . 0.0 111.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -62.52 -34.97 77.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.223 1.009 . . . . 0.0 113.43 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.97 -18.54 60.86 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.924 -1.11 . . . . 0.0 113.623 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' A' ' 35' ' ' VAL . 72.7 m-85 -98.3 -10.77 23.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.216 1.406 . . . . 0.0 113.469 172.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.04 64.92 5.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.747 1.619 . . . . 0.0 109.946 161.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.97 -17.37 62.66 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -87.13 -18.59 30.1 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.143 1.377 . . . . 0.0 113.083 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 17.85 71.41 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.01 1.29 . . . . 0.0 114.461 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -90.39 -8.59 50.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.076 1.35 . . . . 0.0 114.061 -175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 17.11 35.1 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.588 1.566 . . . . 0.0 114.83 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.8 p -136.56 149.62 48.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.775 1.63 . . . . 0.0 110.719 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 pt -99.66 159.06 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.372 0.669 . . . . 0.0 110.252 167.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.16 148.48 37.75 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 p -57.61 -33.75 68.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.15 0.98 . . . . 0.0 111.62 170.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -63.46 -28.94 70.31 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.087 1.355 . . . . 0.0 113.448 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -89.93 -17.1 28.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.052 0.941 . . . . 0.0 112.993 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.2 tp -52.4 -46.48 66.29 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.083 1.311 . . . . 0.0 111.777 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.92 -8.43 34.79 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.328 -1.262 . . . . 0.0 113.967 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -99.61 -42.13 7.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 127.202 2.201 . . . . 0.0 111.869 168.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 19' ' ' PHE . 3.4 t -61.07 -40.48 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 119.828 1.195 . . . . 0.0 110.826 -178.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.9 mmm -60.41 -38.98 85.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.98 0.512 . . . . 0.0 111.648 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -70.73 -37.07 73.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.517 1.127 . . . . 0.0 112.368 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -62.26 -24.96 67.57 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.782 0.833 . . . . 0.0 112.401 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.2 mt -98.06 9.4 42.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.384 1.874 . . . . 0.0 113.616 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.24 12.36 76.2 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.485 1.041 . . . . 0.0 114.513 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -82.04 146.8 29.49 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.424 1.112 . . . . 0.0 110.316 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -122.58 44.7 0.91 Allowed Pre-proline 0 CA--C 1.557 1.243 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -67.09 147.7 79.99 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.051 1.834 . . . . 0.0 111.185 171.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.9 m -74.23 158.57 33.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.935 0.894 . . . . 0.0 109.845 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.03 -33.57 67.33 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.333 1.053 . . . . 0.0 112.929 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.44 -35.43 79.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.773 0.829 . . . . 0.0 112.958 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.97 -43.47 68.02 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.386 0.674 . . . . 0.0 110.635 173.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.22 -47.71 82.64 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.204 0.602 . . . . 0.0 110.865 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -61.95 -42.3 98.95 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.591 0.632 . . . . 0.0 111.91 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.75 -31.67 72.47 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.662 0.664 . . . . 0.0 112.625 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.2 mtm -78.36 -24.28 46.52 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 111.62 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.06 -49.85 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.62 -24.33 55.85 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.15 0.98 . . . . 0.0 113.175 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.54 -27.15 64.91 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.968 1.307 . . . . 0.0 112.847 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.64 -30.08 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -169.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -88.55 41.04 0.99 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 112.529 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.23 67.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.952 1.301 . . . . 0.0 113.917 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -79.28 -16.33 56.58 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.428 . . . . 0.0 112.871 173.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.61 17.33 80.17 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.696 1.141 . . . . 0.0 113.282 -175.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.91 -26.87 63.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 113.55 -171.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.82 13.5 64.62 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.459 1.504 . . . . 0.0 114.179 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.8 p -135.35 157.68 46.3 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.118 1.367 . . . . 0.0 112.835 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.76 129.71 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.541 1.937 . . . . 0.0 109.108 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.79 155.88 18.88 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.144 1.378 . . . . 0.0 111.491 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.48 -50.34 80.66 Favored Pre-proline 0 CA--C 1.549 0.926 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.57 -24.65 41.7 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.277 1.985 . . . . 0.0 113.474 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -69.61 -42.38 74.45 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.198 0.908 . . . . 0.0 110.458 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.24 -40.57 96.3 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.053 1.341 . . . . 0.0 112.598 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.24 -29.01 69.17 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.927 -1.108 . . . . 0.0 112.845 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.0 m -62.34 -38.66 90.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.959 0.904 . . . . 0.0 110.981 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.1 mtt -62.18 -50.55 71.35 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.446 0.699 . . . . 0.0 111.056 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.4 mmm -58.86 -48.05 82.76 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.524 1.129 . . . . 0.0 111.94 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.76 79.87 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.483 1.113 . . . . 0.0 113.1 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -79.79 -35.08 39.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.077 1.351 . . . . 0.0 112.99 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -79.17 -19.5 50.77 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -176.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.5 mmt -53.77 127.63 26.56 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.257 1.023 . . . . 0.0 112.001 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -73.63 142.75 46.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.068 1.347 . . . . 0.0 113.347 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -103.45 -10.34 18.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.401 1.48 . . . . 0.0 113.759 174.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -158.8 172.53 18.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.187 1.795 . . . . 0.0 111.335 -171.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.57 151.65 21.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.024 1.73 . . . . 0.0 113.283 -172.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.4 t -75.78 161.57 28.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.513 1.125 . . . . 0.0 112.991 175.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.12 -43.9 91.96 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 112.749 -175.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.79 -26.44 57.31 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -72.62 -37.8 67.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.377 1.471 . . . . 0.0 110.945 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.13 -41.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.828 1.251 . . . . 0.0 110.95 166.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -62.49 -37.67 86.9 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.02 -38.37 76.08 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.97 0.805 . . . . 0.0 112.306 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.23 91.31 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.262 -0.899 . . . . 0.0 112.707 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -68.71 -37.54 79.57 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.692 -0.63 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -66.78 -33.95 76.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.858 0.754 . . . . 0.0 112.554 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.11 -34.8 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.052 0.941 . . . . 0.0 111.911 169.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -89.66 -6.62 55.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -68.16 131.14 44.87 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.202 -0.936 . . . . 0.0 110.636 173.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.26 -13.14 60.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -148.6 -17.05 0.32 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.62 21.94 45.47 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.964 1.269 . . . . 0.0 112.411 -167.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -79.53 -17.89 53.06 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.26 1.424 . . . . 0.0 114.259 -172.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.95 11.67 56.26 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.474 1.512 . . . . 0.0 113.863 -174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -138.07 151.21 47.61 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.149 1.379 . . . . 0.0 113.682 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.0 pt -132.16 169.25 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.685 1.994 . . . . 0.0 109.158 167.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.4 p -89.44 152.23 21.59 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.185 1.357 . . . . 0.0 112.256 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.47 71.61 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.358 -0.839 . . . . 0.0 112.018 173.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.3 81.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.916 0.886 . . . . 0.0 111.731 171.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.44 -45.32 91.45 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.138 0.575 . . . . 0.0 111.045 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.2 -39.86 88.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.319 0.648 . . . . 0.0 112.284 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -68.97 -40.81 78.64 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.833 -0.542 . . . . 0.0 111.326 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -72.55 -44.62 61.87 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.783 0.833 . . . . 0.0 113.241 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.46 -32.57 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.9 -1.125 . . . . 0.0 111.928 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.93 -21.31 63.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 113.937 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.5 p -111.58 12.01 21.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.244 1.418 . . . . 0.0 112.954 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -132.99 -45.85 0.85 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.9 137.92 31.97 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.659 1.184 . . . . 0.0 111.094 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.09 -144.95 49.89 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.692 1.139 . . . . 0.0 113.198 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -59.26 139.51 56.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.554 0.742 . . . . 0.0 110.93 165.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -88.64 123.29 32.96 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.24 0.616 . . . . 0.0 110.969 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 tp -75.9 142.99 41.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.196 0.999 . . . . 0.0 110.827 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -67.94 150.97 47.85 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.915 1.286 . . . . 0.0 111.205 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -56.81 -43.84 81.39 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.958 1.303 . . . . 0.0 112.912 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.29 -33.25 69.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.342 0.519 . . . . 0.0 112.152 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -72.3 -47.86 46.67 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.877 0.871 . . . . 0.0 110.522 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.0 -33.37 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.964 0.802 . . . . 0.0 112.042 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.37 -38.76 88.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.049 -1.032 . . . . 0.0 111.938 173.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -68.47 -38.1 80.75 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.953 0.901 . . . . 0.0 111.96 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttm -58.35 -44.48 88.79 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.886 0.875 . . . . 0.0 111.079 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.64 -39.68 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.057 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -58.33 -42.08 86.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.421 1.009 . . . . 0.0 112.002 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.95 -27.49 66.65 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.287 1.435 . . . . 0.0 112.71 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 -44.6 11.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.323 1.049 . . . . 0.0 113.232 177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.16 -18.92 63.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.237 1.415 . . . . 0.0 113.958 -170.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.95 -11.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -113.27 -37.49 4.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.58 1.552 . . . . 0.0 112.409 172.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -76.73 175.54 53.4 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.951 1.263 . . . . 0.0 114.067 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.5 -0.25 18.92 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.542 1.537 . . . . 0.0 113.665 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 121.16 -36.25 3.37 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 126.132 1.825 . . . . 0.0 110.603 -162.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.87 145.42 34.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 122.155 -0.615 . . . . 0.0 109.781 151.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.7 121.87 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.957 2.103 . . . . 0.0 108.534 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -76.75 96.6 4.27 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 163.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -71.07 -24.07 62.25 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.81 -45.17 93.85 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 110.472 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.25 -30.12 64.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.659 0.784 . . . . 0.0 112.532 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.35 -42.7 98.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.113 -0.992 . . . . 0.0 112.345 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.28 -44.26 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 118.729 0.695 . . . . 0.0 111.803 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.36 -22.91 61.84 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.188 0.904 . . . . 0.0 113.384 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.1 mtm -79.9 -16.0 56.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.387 0.994 . . . . 0.0 112.969 170.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttp -91.3 -46.5 8.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.079 1.352 . . . . 0.0 112.047 176.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.5 p -76.28 -19.88 57.87 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.79 1.236 . . . . 0.0 113.604 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.36 164.76 32.27 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.816 1.647 . . . . 0.0 111.653 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.252 1.19 0 C-N-CA 125.598 1.559 . . . . 0.0 111.513 -177.616 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.4 -25.62 8.11 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.743 2.962 . . . . 0.0 113.61 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' GLY . . . . . . . . . . . . . . . 79.33 -10.01 38.08 Favored Glycine 0 N--CA 1.475 1.285 0 C-N-CA 124.605 1.097 . . . . 0.0 115.03 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.9 p -57.41 -53.56 56.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.276 1.83 . . . . 0.0 111.222 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1901 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.41 -35.76 74.57 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 112.254 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1902 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.39 -46.13 64.62 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.235 -0.916 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1903 ' ' VAL . . . . . . . . . . . . . 29.0 m -72.42 -27.82 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 118.447 0.567 . . . . 0.0 112.359 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1904 ' ' SER . . . . . . . . . . . . . 58.8 m -61.2 -41.89 97.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.379 0.991 . . . . 0.0 111.74 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1905 ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.82 76.93 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.191 -0.943 . . . . 0.0 112.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1906 ' ' MET . . . . . . . . . . . . . 76.3 mtm -73.35 -37.56 66.05 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.371 0.668 . . . . 0.0 112.526 174.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.89 -46.38 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.716 1.206 . . . . 0.0 111.018 173.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1908 ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.53 -49.73 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.969 -0.457 . . . . 0.0 111.197 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1909 ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.72 -25.3 62.88 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.268 0.94 . . . . 0.0 112.958 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1910 ' ' ARG . . . . . . . . . . . . . 43.8 ttm105 -63.63 -42.38 98.16 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.965 1.257 . . . . 0.0 111.188 171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1911 ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.01 88.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.562 0.745 . . . . 0.0 111.683 173.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1912 ' ' PHE . . . . . . . . . . . . . 35.9 t80 -68.3 -37.67 80.87 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.747 -0.596 . . . . 0.0 112.514 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1913 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.4 -42.77 99.25 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.1 0.96 . . . . 0.0 111.461 171.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.0 -37.64 88.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.04 0.936 . . . . 0.0 112.038 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1915 ' ' HIS . . . . . . . . . . . . . 75.3 t60 -63.91 -48.48 76.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.457 1.103 . . . . 0.0 112.57 172.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1916 ' ' LEU . . . . . . . . . . . . . 40.4 mt -56.17 -38.99 71.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.013 1.325 . . . . 0.0 112.571 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1917 ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.36 -30.14 62.28 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.038 0.935 . . . . 0.0 112.922 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1918 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -88.79 -36.57 16.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.055 0.942 . . . . 0.0 111.19 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1919 ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -61.17 -41.26 96.47 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.271 1.428 . . . . 0.0 112.202 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1920 ' ' SER . . . . . . . . . . . . . 96.4 p -105.75 1.99 27.53 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.926 1.29 . . . . 0.0 114.261 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.6 mm? 70.68 -28.58 0.18 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 130.02 3.328 . . . . 0.0 114.425 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 26.2 pttm -165.23 159.44 17.43 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.954 1.701 . . . . 0.0 112.903 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1923 ' ' HIS . . . . . . . . . . . . . 23.8 m170 -109.77 33.54 4.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.615 1.566 . . . . 0.0 112.07 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1924 ' ' ALA . . . . . . . . . . . . . . . 60.7 -143.99 0.49 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.331 1.853 . . . . 0.0 110.664 -167.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1925 ' ' SER . . . . . . . . . . . . . 79.3 p -158.49 153.49 25.22 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.352 1.061 . . . . 0.0 112.931 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1926 ' ' PHE . . . . . . . . . . . . . 32.7 p90 -171.19 -33.84 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.65 1.98 . . . . 0.0 112.302 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1927 ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--O 1.255 1.359 0 C-N-CA 125.709 1.603 . . . . 0.0 111.83 170.619 . . . . . . . . 0 0 . 1 stop_ save_